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p-Cresol ( CASNO:106-44-5 )

Identification and Related Records
Name:
p-Cresol
CAS Registry number:
106-44-5
Synonyms:
4-Hydroxytoluene
4-Methylphenol
p-Cresol 98+ %
PARA-CRESOL
4-cresol
para cresol
EINECS(EC#):
203-398-6
Molecular Formula:
C7H8O
Molecular Weight:
108.14
Inchi:
InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey:
IWDCLRJOBJJRNH-UHFFFAOYSA-N
Canonical SMILES:
CC1=CC=C(C=C1)O
Chemical and Physical Properties
Appearance:
Clear to to slightly amber semi solid
Density:
1.034
Melting Point:
32-34℃
Boiling Point:
202℃
Vapour:
0.207mmHg at 25°C
Refractive Index:
1.5312 (20 C)
Flash Point:
89℃
Water:
20 g/L (20℃)
Solubilities:
23 g/l SOLVENT
Color/Form:
Crystalline solid [Note: A liquid above 95 degees F].
Stability:
Stable. Combustible. Incompatible with strong oxidizing agents. Air and light-sensitive. Hygroscopic.
HS Code:
29071200
Storage temp:
2-8°C
Spectral properties:
Index of refraction = 1.5395 at 20 deg C/D
MAX ABSORPTION (CYCLOHEXANE): 280 NM (LOG E= 3.23)
SADTLER REFERENCE NUMBER: 33 (IR, PRISM)
MASS: 117 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
Intense mass spectral peaks: 107 m/z (100%), 108 m/z (91%), 77 m/z (28%), 79 m/z (21%)
IR: 8005 (Sadtler Research Laboratories IR Grating Collection)
UV: 15 (Sadtler Research Laboratories Spectral Collection)
NMR: 9491 (Sadtler Research Laboratories Spectral Collection)
MASS: 53610 (NIST/EPA/MSDC Mass Spectral Database, 1990 version); 335 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Computed Properties:
Molecular Weight:108.13782 [g/mol]
Molecular Formula:C7H8O
XLogP3:1.9
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:108.057515
MonoIsotopic Mass:108.057515
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Formal Charge:0
Complexity:62.8
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1
Safety and Handling
Hazard Codes:
T:Toxic
Risk Statements:
R24/25;R34
Safety Statements:
S36/37/39;S45
HazardClass:
6.1
Hazard Note:
Irritant
Safety:
Hazard Codes:T,Xi
Risk Statements:24/25-34-39/23/24/25-23/24/25
24/25:Toxic by inhalation, in contact with skin and if swallowed
34:Causes burns
39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed
23/24/25:Toxic by inhalation, in contact with skin and if swallowed
Safety Statements:36/37/39-45-36/37
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37:Wear suitable protective clothing and gloves
RIDADR:UN 3455 6.1/PG 2
WGK Germany:1
HazardClass:6.1
PackingGroup:II
Hazard Note:Irritant
HS Code:29071200
Hazardous Substances Data:106-44-5(Hazardous Substances Data)
PackingGroup:
II
Sensitive:
Light Sensitive
Skin, Eye, and Respiratory Irritations:
Vapors cause irritation of eyes, nose, and throat.
Corrosive. Causes severe eye and skin burns. May be harmful if absorbed through skin or inhaled. Irritating to skin, eyes, and respiratory system. Symptoms include severe irritation of eyes with tearing, conjunctivitis, and corneal edema. May act as a skin sensitizer.
... Cresol is a strong dermal irritant and causes frequent dermatitis. Serious or even fatal poisoning may result if large areas of the skin are wet with cresol and the cresol is not removed.
Cresol slightly more corrosive /to the skin or eyes/ than phenol, but systemic effects may be a little milder because of slower absorption.
m-Cresol ... somewhat less toxic and less irritant than phenol, while o-cresol is more toxic and p-cresol is most toxic of all three.
Cleanup Methods:
Optimum conditions for removing cresol from wastewater with Lewatit MP 500 (a strong-base, large-pore, polystyrene-based anion exchange resin) were pH 6, 30 deg C, and a flow rate of 1 l/hr, and when removing cresol from 10 mg/l solutions, the capacity of the exchanger was 0.46 equiv/l.
Approach release from upwind. Control runoff and isolate discharged material for proper disposal.
Environmental considerations - Water spill: Use natural deep water pockets, excavated lagoons, or sand bag barriers to trap material at bottom. If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
Environmental considerations - Land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.
Environmental considerations - Air spill: Apply water spray or mist to knock down vapors. Vapor knockdown water is corrosive or toxic and should be diked for containment.
Transport:
UN 2076/3455
Fire Fighting Procedures:
Wear goggles & self-contained breathing apparatus.
Use water spray, dry chemical, foam, or carbon dioxide. Use water spray to keep fire-exposed containers cool.
Water may be used to blanket fire.
If material on fire or involved in fire: Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Use water spray to knock-down vapors.
Fire Potential:
Flammable when exposed to /SRP66: spark/ heat, flames, or oxidants.
Combustible liquid
Formulations/Preparations:
Grades: Technical: 98%, 99.0% Minimum purity ...
Pure cresol is a mixture of ortho-, meta- & para-isomers. Crude cresol (commercial cresol) is a mixture of aromatic cmpd containing about 20% of o-cresol, 40% of m-cresol, & 30% of p-cresol with small amt of phenol & xylenols.
Generally, ... /m- and p-/ isomers are used industrially as a mixture containing 40% to 65% m-cresol.
DOT Emergency Guidelines:
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Evacuation: ... Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
Exposure Standards and Regulations:
p-Cresol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.
Reactivities and Incompatibilities:
Strong oxidizers, acids.
Other Preventative Measures:
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emmissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but remain at employee's place of work for cleaning.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Neutralize spilled material with crushed limestone, soda ash, or lime.
Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. If contact with the material anticipated, wear appropriate chemical protective clothing.
Eyewash and quick drench should be available.
Protective Equipment and Clothing:
The nose and mouth should be protected with a respirator or folded gauze, and the eyes with tight-fitting goggles. Protective clothing, including rubber (not cotton) gloves, should be worn. Clothing should be removed immediately if contaminated by spillage. All clothing worn during one spraying operation should be laundered before re-use.
The use of respirators to achieve compliance with the recommended exposure limits is permitted only: (a) during the time necessary to install or test the required engineering controls, and (b) during emergencies or during nonroutine operations, such as maintenance or repair activities, when the concentration of airborne cresol may exceed the permissible environmental limit.
In the factory it is necessary to take ... precautions in handling cresol. Rubber clothes & articles ... can ... give effective protection.
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection.
Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. (Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.)
Respirator Recommendations: Up to 23 ppm: (Assigned Protection Factor = 10) Any air-purifying half-mask respirator with organic vapor cartridge(s) in combination with an N95, R95, or P95 filter. The following filters may also be used: N99, R99, P99, N100, R100, P100./(Assigned Protection Factor = 10) Any supplied-air respirator.
Respirator Recommendations: Up to 57.5 ppm: (Assigned Protection Factor = 25) Any supplied-air respirator operated in a continuous-flow mode./(Assigned Protection Factor = 25) Any powered air-purifying respirator with an organic vapor cartridge in combination with a high-efficiency particulate filter.
Respirator Recommendations: Up to 115 ppm: (Assigned Protection Factor = 50) Any air-purifying full-facepiece respirator equipped with organic vapor cartridge(s) in combination with an N100, R100, or P100 filter./(Assigned Protection Factor = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister having an N100, R100, or P100 filter./(Assigned Protection Factor = 50) Any powered, air-purifying respirator with a tight-fitting facepiece and organic vapor cartridge(s) in combination with a high-efficiency particulate filter. Substance reported to cause eye irritation or damage; may require eye protection./(Assigned Protection Factor = 50) Any supplied-air respirator that has a tight-fitting facepiece and is operated in a continuous-flow mode. Substance reported to cause eye irritation or damage; may require eye protection./(Assigned Protection Factor = 50) Any self-contained breathing apparatus with a full facepiece./(Assigned Protection Factor = 50) Any supplied-air respirator with a full facepiece.
Respirator Recommendations: Up to 250 ppm: (Assigned Protection Factor = 2000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode.
Respirator Recommendations: Emergency or planned entry into unknown concentrations or IDLH conditions: (Assigned Protection Factor = 10,000) Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode./(Assigned Protection Factor = 10,000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus.
Respirator Recommendations: Escape: (Assigned Protection Factor = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister having an N100, R100, or P100 filter./Any appropriate escape-type, self-contained breathing apparatus.
Specification:
The P-cresol, with the CAS register number 106-44-5, has other names as 1-methyl-4-hydroxybenzene;4-cresol;4-methyl-pheno;cresol, para;cresol,para-isomer;femanumber2337;paracresol;para-cresol . The physical properties of this kind of chemcial are as followings: (1)#H bond acceptors:? 1? ; (2)#H bond donors:? 1? ; (3)#Freely Rotating Bonds:? 1? ; (4)Polar Surface Area:? 20.23? ; (5)Index of Refraction:? 1.545? ; (6)Molar Refractivity:? 32.95 cm3? ; (7)Molar Volume:? 104.1 cm3? ; (8)Polarizability:? 13.06 ×10-24 cm3? ; (9)Surface Tension:? 38.8 dyne/cm? ; (10)Density:? 1.038 g/cm3? ; (11)Flash Point:? 81 °C? ; (12)Enthalpy of Vaporization:? 45.61 kJ/mol? ; (13)Boiling Point:? 202 °C at 760 mmHg? ; (14)Vapour Pressure:? 0.211 mmHg at 25°C . It is a kind of colourless to pink crystalline with smoky and herb smellings. It is soluble in water and aqueouscaustic and other organic solvent. Natuals exsit in Ylang Ylang oil, strawberry, cheese, coffee, and cocoa. As for its usage, it is usually used in organic synthesis, and also be the material for making the antioxidant 264 and rubber antioxidant. When in plastic industry, it could be used as phenolic resin and plasticizer and then as the disinfectant in pharmaceutics. Besides, it is used as the raw material of dyeing and pesticide. Its product categories are including the following: industrial/fine chemicals;building blocks for liquid crystals;functional materials;phenols (building blocks for liquid crystals).
?
Being a kind of toxic chemical, it at low levels cause damage to health and if in contact with skin or swallowed or by inhalation, it will be very dangerous. Besides, it is irritant as it may cause inflammation to the skin or other mucous membranes and may causes burns. Then, it has danger of very serious irreversible effects. So while dealing with this chemical, you should be very cautious. Wear suitable protective clothing, gloves and eye/face protection and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). You could also get the safety information from refering to WGK Germany 1. In addition, you could refer to the following data information to get the molecular structure:
SMILES:Cc1ccc(O)cc1
InChI:InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey:IWDCLRJOBJJRNH-UHFFFAOYAN Below are the toxicity information of this kind of chemcial:
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 80mg/kg (80mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
frog LDLo subcutaneous 150mg/kg (150mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig LDLo subcutaneous 200mg/kg (200mg/kg) ? "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 58, 1959.
mouse LD50 intraperitoneal 25mg/kg (25mg/kg) ? "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 58, 1959.
mouse LD50 oral 344mg/kg (344mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
mouse LD50 unreported 160mg/kg (160mg/kg) ? British Journal of Cancer. Vol. 6, Pg. 160, 1952.
?
mouse LDLo subcutaneous 150mg/kg (150mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
rabbit LD50 skin 301mg/kg (301mg/kg) BEHAVIORAL: TREMOR

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 5-5/1969,
rabbit LDLo intravenous 180mg/kg (180mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo oral 620mg/kg (620mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo subcutaneous 300mg/kg (300mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
?
Octanol/Water Partition Coefficient:
log Kow = 1.94
Report:
The P-cresol, with the CAS register number 106-44-5, has other names as 1-methyl-4-hydroxybenzene;4-cresol;4-methyl-pheno;cresol, para;cresol,para-isomer;femanumber2337;paracresol;para-cresol . The physical properties of this kind of chemcial are as followings: (1)#H bond acceptors:? 1? ; (2)#H bond donors:? 1? ; (3)#Freely Rotating Bonds:? 1? ; (4)Polar Surface Area:? 20.23? ; (5)Index of Refraction:? 1.545? ; (6)Molar Refractivity:? 32.95 cm3? ; (7)Molar Volume:? 104.1 cm3? ; (8)Polarizability:? 13.06 ×10-24 cm3? ; (9)Surface Tension:? 38.8 dyne/cm? ; (10)Density:? 1.038 g/cm3? ; (11)Flash Point:? 81 °C? ; (12)Enthalpy of Vaporization:? 45.61 kJ/mol? ; (13)Boiling Point:? 202 °C at 760 mmHg? ; (14)Vapour Pressure:? 0.211 mmHg at 25°C . It is a kind of colourless to pink crystalline with smoky and herb smellings. It is soluble in water and aqueouscaustic and other organic solvent. Natuals exsit in Ylang Ylang oil, strawberry, cheese, coffee, and cocoa. As for its usage, it is usually used in organic synthesis, and also be the material for making the antioxidant 264 and rubber antioxidant. When in plastic industry, it could be used as phenolic resin and plasticizer and then as the disinfectant in pharmaceutics. Besides, it is used as the raw material of dyeing and pesticide. Its product categories are including the following: industrial/fine chemicals;building blocks for liquid crystals;functional materials;phenols (building blocks for liquid crystals).
?
Being a kind of toxic chemical, it at low levels cause damage to health and if in contact with skin or swallowed or by inhalation, it will be very dangerous. Besides, it is irritant as it may cause inflammation to the skin or other mucous membranes and may causes burns. Then, it has danger of very serious irreversible effects. So while dealing with this chemical, you should be very cautious. Wear suitable protective clothing, gloves and eye/face protection and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). You could also get the safety information from refering to WGK Germany 1. In addition, you could refer to the following data information to get the molecular structure:
SMILES:Cc1ccc(O)cc1
InChI:InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey:IWDCLRJOBJJRNH-UHFFFAOYAN Below are the toxicity information of this kind of chemcial:
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 80mg/kg (80mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
frog LDLo subcutaneous 150mg/kg (150mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig LDLo subcutaneous 200mg/kg (200mg/kg) ? "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 58, 1959.
mouse LD50 intraperitoneal 25mg/kg (25mg/kg) ? "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 58, 1959.
mouse LD50 oral 344mg/kg (344mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
mouse LD50 unreported 160mg/kg (160mg/kg) ? British Journal of Cancer. Vol. 6, Pg. 160, 1952.
?
mouse LDLo subcutaneous 150mg/kg (150mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
rabbit LD50 skin 301mg/kg (301mg/kg) BEHAVIORAL: TREMOR

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 5-5/1969,
rabbit LDLo intravenous 180mg/kg (180mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo oral 620mg/kg (620mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo subcutaneous 300mg/kg (300mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
?
Disposal Methods:
[40 CFR 240-280, 300-306, 702-799 (7/1/2005)] Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number F004; U052; D025, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
Chemical Treatability of p-Cresol; Concentration Process: Biological Treatment; Chemical Classification: Phenols; Scale of Study: Unknown; Type of Wastewater Used: Pure (one solute in a solvent); Results of Study: 95.5% reduction based on chemical oxygen demand; rate of biodegradation 55 mg chemical oxygen demand/g hr. (Activated sludge process).
Chemical Treatability of p-Cresol; Concentration Process: Solvent Extraction; Chemical Classification: Phenols; Scale of Study: Laboratory Scale, Continuous flow; Type of Wastewater Used: Industrial Wastewater; Results of Study: 91% reduction (Extraction of evaporation condensate from spent caustic processing using isobutylene (S/W= 1.8); spray extractor used).
Cresol: A good candidate for rotary kiln incineration at temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids. /Cresols/
Use and Manufacturing
Use and Manufacturing:
Methods of Manufacturing

... From benzene by the cumene process; method of purification: crystallization
... p-Cymene is oxidized and cleaved to produce p-cresol and acetone
Para-cresol is prepared synthetically by methylation of phenol using methanol or by fusion hydrolysis of toluenesulfonic acid
... From toluene: Braunwarth, US patent 3,046,305 (1962 to Pure Oil).
Most nonsynthetic cresol used in industry is derived from petroleum or coal tar acids. Petroleum-based cresol is a by-product of the naphtha-cracking process and is present in the spent caustic liquor used to wash petroleum distillate. Coal tar acids are obtained from coke oven by-products, gas-retort oven tars and distilled tar by-products. The initial fractionation of petroleum or coal tar acids yields a phenolic mixture composed mainly of cresol, phenol, and xylenols. Pure o-cresol can be obtained by further distillation of this mixture, but because of their similar boiling points, the meta and para isomers of cresol must be separated by other methods.
p-Cresol is a 4-methyl deriviative of phenol and is prepared from m-toluic acid or obtained from coal tar or petroleum. Crude cresol is obtained by distilling ?gray phenic acid? at a temperature of 180 to 201 deg C. p-Cresol may be separated from the crude or purified mixture by repeated fractional distillation in vacuo. It can also be prepared synthetically by diazotization of the specific toluene, or by fusion of the corresponding toluenesulfonic acid with sodium hydroxide.
U.S. Imports

(1975) 2.15X10+9 g
(1983) 9.06X10+8 g
U.S. Production

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).
(1986) >10 million-50 million pounds
(1990) >10 million-50 million pounds
(1994) >50 million-100 million pounds
(1998) >50 million-100 million pounds
(2002) >10 million-50 million pounds
Usage:
Intermediates of Liquid Crystals
Sampling Procedures:
A known volume of air is drawn through a silica gel tube consisting of 2, 20/40 mesh silica gel sections, 150 and 75 mg, separated by a 2 mm portion of urethane foam. The collected sample is desorbed with acetone and analyzed by gas chromatography. (This method for sampling and analysis is adapted from NIOSH Method No S167) /Cresols/
Traces of phenols (incl p-cresol) in auto exhaust & tobacco smoke were collected using a fritted bubbler with 10 ml 0.12% sodium hydroxide.
Biomedical Effects and Toxicity
Pharmacological Action:
INHALATION: Irritation of nose or throat. EYES: Intense irritation and pain, swelling of conjunctiva and corneal damage may occur. SKIN: Intense burning, loss of feeling, white discoloration and softening. Gangrene may occur. INGESTION: Burning sensation in mouth and esophagus. Vomiting may result. Absorption by all routes may cause muscular weakness, gastroenteric disturbance, severe depression and collapse. Effects are primarily on central nervous system, edema of lungs, injury of spleen and pancreas may occur.
Therapeutic Uses:
MEDICATION (VET): Local antiseptic, parasiticide, disinfectant; has been used as an intestinal antiseptic
Disinfectant
Biomedical Effects and Toxicity:
Humans normally excrete approximately 50 mg of p-cresol in the urine daily. p-Cresol is produced endogenously from tyrosine by anaerobic bacteria in the gastrointestinal tract.
The normal human excretes 16 to 39 mg p-cresol/day.
Environmental Fate and Exposure Potential
Environmental Fate/Exposure Summary:
TERRESTRIAL FATE: Based on a classification scheme(1), log Koc values of 1.69 and 2.7 reported for soil(2), indicates that p-cresol is expected to have moderate to high mobility in soil(SRC). Volatilization of p-cresol from moist soil surfaces is expected to occur(SRC) given a Henry's Law constant of 1X10-6 atm-cu m/mole(3). p-Cresol is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 0.11 mm Hg at 25 deg C(4). Biodegradation half-lives of 1 and 0.5 days were reported for 2 agricultural soils(5).
AQUATIC FATE: Based on a classification scheme(1), a log Koc value of 2.81 reported for sediment(2) indicates that p-cresol is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1X10-6 atm-cu m/mole(4). Volatilization half-lives for a model river and model lake are 25 and 281 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 6(SRC), from a log Kow of 1.94(6), and a regression derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. p-Cresol is expected to biodegrade in aerobic waters based on complete degradation within 4 and 6 days using Lake Tahoe, CA water(8).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), p-cresol, which has an extrapolated vapor pressure of 0.11 mm Hg at 25 deg C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase p-cresol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 8 hours(SRC) from its rate constant of 4.7X10-11 cu cm/molecule-sec at 25 deg C(3).
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