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Creosote, wood ( CASNO:8021-39-4 )

Identification and Related Records
Name:
Creosote, wood
CAS Registry number:
8021-39-4
Synonyms:
Beechwoodcreosote
Creasote
Creosote beechwood
Wood creosote
EINECS(EC#):
232-419-1
Molecular Formula:
C7H8O2
Molecular Weight:
124.13722
Inchi:
InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey:
LHGVFZTZFXWLCP-UHFFFAOYSA-N
Canonical SMILES:
COC1=CC=CC=C1O
Chemical and Physical Properties
Appearance:
Colorless to yellowish oily liquid
Density:
1.09 g/mL at 20 °C
Melting Point:
-20
Boiling Point:
200 - 240 C
Refractive Index:
1.534
Flash Point:
74 °C
Water:
0.1-1 g/100ml at 23 C (But Soluble in methanol, acetone)
Solubilities:
0.1-1 g/100ml at 23 C (But Soluble in methanol, acetone)
Color/Form:
Faintly yellowish, limpid, oily liquid or yellow crystals
White or slightly yellow crystalline mass or colorless to yellowish, very refractive liquid
Hexagonal prisms
Spectral properties:
Index of refraction: 1.5429 at 20 deg C/D
MAX ABSORPTION (ALCOHOL): 274 NM (LOG E= 3.41)
IR: 3218 (Coblentz Society Spectral Collection)
UV: 36 (Sadtler Research Laboratories Spectral Collection)
1H NMR: 3149 (Sadtler Research Laboratories Spectral Collection)
MASS: 20585 (NIST/EPA/MSDC Mass Spectral Database, 1990 version); 1081(Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Computed Properties:
Molecular Weight:124.13722 [g/mol]
Molecular Formula:C7H8O2
XLogP3:1.3
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:124.05243
MonoIsotopic Mass:124.05243
Topological Polar Surface Area:29.5
Heavy Atom Count:9
Formal Charge:0
Complexity:83
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 Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:3
Safety and Handling
Hazard Codes:
8 (Packing Group: II) UN NO.
Risk Statements:
R23/24/25
Safety Statements:
Confirmed carcinogen. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety:
Confirmed carcinogen. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Beechwood cresoate (CAS NO.8021-39-4):
Hazard Codes: T,C
Risk Statements: 23/24/25-34-48/20/21/22-68
20:  Harmful by inhalation 
21:  Harmful in contact with skin 
22:  Harmful if swallowed 
23:  Toxic by inhalation 
24:  Toxic in contact with skin 
25:  Toxic if swallowed 
34:  Causes burns 
48:  Danger of serious damage to health by prolonged exposure
68:  Possible risk of irreversible effects
Safety Statements: 26-36/37/39-45
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves  
39:  Wear eye/face protection 
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
Skin, Eye, and Respiratory Irritations:
Eye, skin, gastrointestinal, and/or respiratory tract irritation ... .
Cleanup Methods:
Wear approved respiratory protection, chemically compatible gloves and protective clothing. Wipe up spillage or collect spillage using a high efficiency vacuum cleaner. Avoid breathing vapor or dust. Ventilate area and wash spill site. Place spillage in appropriately labelled container for disposal.
Transport:
30kgs
Fire Fighting Procedures:
As with all fires, evacuate personnel to a safe area. Firefighters should use self-contained breathing equipment and protective clothing.
Water spray, dry chemical, carbon dioxide or foam as appropriate for surrounding fire and materials.
Fire Potential:
This material is combustible when exposed to heat or flame.
Formulations/Preparations:
Oral solution: Codeine BP: 7.0 mg/5 mL and Guaiacol (1949) BPC /Boots Company plc/ 75.0 mg/5 mL, Pulmo Bailly (DDD Limited, United Kingdom)
Other Preventative Measures:
SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits 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.
Engineering controls such as exhaust ventilation are recommended.
Protective Equipment and Clothing:
Gloves: Chemically compatible. Eye protection: Safety goggles or glasses. Protective clothing: Protect exposed skin.
Use a NIOSH-approved respirator, if it is determined to be necessary by an industrial hygiene survey involving air monitoring. If material is in solid form, the use of an approved dust mask is recommended.
Specification:
 Beechwood cresoate ,its CAS NO. is 8021-39-4,the synonyms is  Beechwood creosote ; Creosote ; Creosote coal tar ; Coal tar creosote ; Beechwoodcresoate ; Creasote ; Creosote,beechwood ; Creosote,wood .
Octanol/Water Partition Coefficient:
log Kow = 1.32
Report:
NTP 10th Report on Carcinogens. Reported in EPA TSCA Inventory.
Disposal Methods:
SRP: At the time of review, regulatory criteria for small quantity disposal are subject to significant revision, however, household quantities of waste pharmaceuticals may be managed as follows: Mix with wet cat litter or coffee grounds, double bag in plastic, discard in trash.
SRP: Expired or waste pharmaceuticals shall carefully take into consideration applicable DEA, EPA, and FDA regulations. It is not appropriate to dispose by flushing the pharmaceutical down the toilet or discarding to trash. If possible return the pharmaceutical to the manufacturer for proper disposal being careful to properly label and securely package the material. Alternatively, the waste pharmaceutical shall be labeled, securely packaged and transported by a state licensed medical waste contractor to dispose by burial in a licensed hazardous or toxic waste landfill or incinerator.
Use and Manufacturing
Use and Manufacturing:
Methods of Manufacturing

Distillation of wood tar or coal tar; reaction of o-dichlorobenzene with alkali to form catechol, followed by methylation
Guaiacol is prepared by monomethylation of catechol using methyl halides or dimethyl sulfate. Monomethylation of catechol can also be accomplished with methanol in the presence of phosphoric acid, phosphates, or an ion exchanger.
... By mercuric oxide oxidation of lignin; ... by oxidation of anisole with trifluoroperoxyacetic acid; ... from acetovanillone and zinc chloride.
By extracting beechwood creosote with alcoholic potash, washing with ether, crystallizing potash compound from alcohol, and decomposing it with dilute sulfuric acid; also from ortho-anisidine by diazotization and subsequent action of dilute sulfuric acid.
U.S. Imports

(1977) 1.32 X 10+8 g (Principal Customs Districts)
(1979) 3.20 X 10+8 g (Principal Customs Districts)
U.S. Production

(1977) Probably > 2.27 x 10+6 g
(1979) Probably > 2.27 x 10+6 g
Phenol, 2-methoxy- is listed as a High Production Volume (HPV) chemical (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).
Production volumes for non-confidential chemicals reported under the Inventory Update Rule. Year Production Range (pounds) 1986 10 thousand - 500 thousand 1990 10 thousand - 500 thousand 1994 >1 million - 10 million 1998 >1 million - 10 million 2002 >1 million - 10 million
Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Phenol, 2-methoxy-. Aggreated National Production Volume: 1 to
Biomedical Effects and Toxicity
Pharmacological Action:
- Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)
- Agents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here.
Therapeutic Uses:
Disinfectants; Expectorants
Medication (Vet): ... Oral or parenteral mucolytic antiseptic antitussive in bronchopneumonias. ... Inhalant. In antiphlogistic, anodyne liquids on congested udders, in horse leg paints, and in poultices. Spray over tail biting swine to ... discourage cannibalism. Parenteral /dosage/ in camphorated oil. US mfr use 50 mg/mL concentration.
For the symptomatic relief of coughs associated with colds, bronchial catarrh, influenza and upper respiratory tract infections such as laryngitis and pharyngitis. Codeine is a well-known centrally acting cough suppressant. Guaiacol acts as an expectorant, loosening bronchial secretions in the respiratory tract. /Guaiacol, codeine combination/ [Datapharm Communications Ltd; Electronic Medicines Compendium (eMC), Summary of Product Characteristics (SPC) for Pulmo Bailly (Last updated February 2010). Available from, as of March 9, 2010:]
Biomedical Effects and Toxicity:
Medical experience indicates that toxic quantities can be absorbed through the skin quite readily.
Methoxyphenol largely absorbed from digestive tract and stored in blood, kidneys, and respiratory organs. Excreted by rabbits in combined form with sulfate (15%) and glucuronic acid (72%).
In rats, guaiacol is rapidly absorbed, being present in the blood 5 minutes after oral administration, and reaching its peak plasma concentration in about 10 minutes. Its elimination from the blood is usually as rapid.
Environmental Fate and Exposure Potential
Environmental Fate/Exposure Summary:
TERRESTRIAL FATE: Based on a classification scheme(1), a Koc value of 40(2), indicates that o-methoxyphenol is expected to have very high mobility in soil(SRC). The pKa of o-methoxyphenol is 9.98(3), indicating that this compound will exist primarily in the undissociated form in the environment(SRC). Volatilization of o-methoxyphenol from moist soil surfaces is expected to be an environmental fate process(SRC) given a Henry's Law constant of 1.2X10-6 atm-cu m/mole(4). o-Methoxyphenol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.103 mm Hg at 25 deg C(5). Utilizing the Japanese MITI test, 97% of the theoretical BOD was reached in four weeks(6), suggesting that biodegradation may be an important environmental fate process in soil(SRC).
AQUATIC FATE: Based on a classification scheme(1), a Koc value of 40(2) indicates that o-methoxyphenol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected to be an environmental fate process(3) based upon a Henry's Law constant of 1.2X10-6 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 34 and 251 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow of 1.32(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Utilizing the Japanese MITI test, 97% of the theoretical BOD was reached in four weeks(8), suggesting that biodegradation may be an important environmental fate process in water(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), o-methoxyphenol, which has a vapor pressure of 0.103 mm Hg at 25 deg C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase o-methoxyphenol 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 13 hours(SRC), calculated from its estimated rate constant of 3.2X10-11 cu cm/molecule-sec at 25 deg C(3). The sodium salt of o-methoxyphenol absorbs light at wavelengths of 289 nm(4) and therefore o-methoxyphenol may be susceptible to direct photolysis by sunlight(SRC).
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