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Chemical Product CAS:61788-44-1Styrenated phenol

CAS:61788-44-1
Styrenated phenol

  • CAS No:

    61788-44-1
  • Name:

    Styrenated phenol
  • Molecular Formula:

    C30H30O
  • Molecular Weight:

    146.1858
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Styrenated phenol ( CASNO:61788-44-1 )

Identification and Related Records
Name:
Styrenated phenol
CAS Registry number:
61788-44-1
Iupac name:
2,4-bis(ethenyl)phenol
Synonyms:
Styrenated phenol
EINECS(EC#):
262-975-0
Molecular Formula:
C30H30O
Molecular Weight:
146.1858
Inchi:
InChI=1S/C10H10O/c1-3-8-5-6-10(11)9(4-2)7-8/h3-7,11H,1-2H2
InChIKey:
GZGSEMRMKBBQGA-UHFFFAOYSA-N
Canonical SMILES:
C=CC1=CC(=C(C=C1)O)C=C
Chemical and Physical Properties
Appearance:
yellowish to amber Sticky liquid
Density:
1.046
Boiling Point:
256.4 °C at 760 mmHg
Refractive Index:
1.5785~1.6020
Flash Point:
256.4 °C at 760 mmHg
Water:
insoluble in water
Solubilities:
insoluble in water
Computed Properties:
Molecular Weight:146.1858 [g/mol]
Molecular Formula:C10H10O
XLogP3-AA:3.1
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:4
Exact Mass:146.073165
MonoIsotopic Mass:146.073165
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Formal Charge:0
Complexity:151
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 Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:11
Safety and Handling
Specification:
?The Phenol,styrenated , with the CAS register number 61788-44-1, has the systematic name of 2,4-diethenylphenol . And it has other names as AntioxidantSP ; Phenol,styrenated ; Styrenatedphenols ; styrenated phenol ; tristyrylphenol ; Asm sp 10 ; Antioxidant sp 10 ; 2,4,6-Tris-(1-phenyl-ethyl)phenol . The physical properties are as the followings: (1)#H bond acceptors:? 1; (2)#H bond donors:? 1; (3)#Freely Rotating Bonds:? 3; (4)Polar Surface Area:? 20.23;? (5)Index of Refraction:? 1.634; (6) Molar Refractivity:? 49.98 cm3; (7)Molar Volume:? 139.7 cm3; (8)Polarizability:? 19.81× 10-24 cm3; (9)Surface Tension:? 40.3 dyne/cm; (10)Density:? 1.046 g/cm3; (11)Flash Point:? 115.1 °C; (12)Enthalpy of Vaporization:? 51.38 kJ/mol; (13)Boiling Point:? 256.4 °C at 760 mmHg; (14)Vapour Pressure:? 0.00963 mmHg at 25°C? It is a kind of yellowish to amber Sticky liquid and it is soluble in ethanol, Acetone, Fat hydrocarbon, Trichloro ethane, aromatic and other organic solvents but insoluble in water. As for its usage, it is usually applied in stabilizing agent and anti-aging agent of the natural rubber and the synthesis rubber, such as n-Butylbenzoe, A synthetic, and ethylene . Besides, its product categories are including Industrial/Fine Chemicals;inoranic & organic chemcials;UVCBs-organic. In addition, you could refer to the following data information into the molecular structure:
SMILES:C=Cc1cc(ccc1O)C=C
InChI:InChI=1/C10H10O/c1-3-8-5-6-10(11)9(4-2)7-8/h3-7,11H,1-2H2
InChIKey:GZGSEMRMKBBQGA-UHFFFAOYAL As for its market information, you could find many suppliers in China, such as Linkwell Rubber Chemicals Co., Ltd , Nanjing T.H.Chemical Co., Ltd , and Qingdao Huachen Chemical Corporation, etc.
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