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1596-09-4

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Basic Information
CAS No.: 1596-09-4
Name: 2-cyclohexyl-p-cresol
Article Data: 32
Molecular Structure:
Molecular Structure of 1596-09-4 (2-cyclohexyl-p-cresol)
Formula: C13H18 O
Molecular Weight: 190.285
Synonyms: p-Cresol,2-cyclohexyl- (6CI,7CI,8CI); 2-Cyclohexyl-4-methylphenol;2-Cyclohexyl-p-cresol; 4-Methyl-2-cyclohexylphenol; o-Cyclohexyl-p-cresol
Density: 1.026g/cm3
Melting Point: 56 °C
Boiling Point: 257.1°Cat760mmHg
Flash Point: 116.7°C
Hazard Symbols: Moderately toxic by ingestion. A severe eye irritant.
Safety: Moderately toxic by ingestion. A severe eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 20.23000
LogP: 3.74830
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Chemistry

Molecular Structure of 2-Cyclohexyl-4-methylphenol (CAS NO.1596-09-4):

EINECS: 216-478-0
IUPAC Name: 2-Cyclohexyl-4-methylphenol 
Molecular Formula: C13H18O
Molecular Weight: 190.281420 g/mol
XLogP3-AA: 4.5
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CC1=CC(=C(C=C1)O)C2CCCCC2
InChI: InChI=1S/C13H18O/c1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChIKey: GTLMTHAWEBRMGI-UHFFFAOYSA-N
Index of Refraction: 1.547
Molar Refractivity: 58.82 cm3
Molar Volume: 185.3 cm3
Surface Tension: 40 dyne/cm
Density: 1.026 g/cm3
Flash Point: 116.7 °C
Enthalpy of Vaporization: 51.46 kJ/mol
Boiling Point: 257.1 °C at 760 mmHg
Vapour Pressure: 0.00921 mmHg at 25 °C
Water Solubility of 2-Cyclohexyl-4-methylphenol (CAS NO.1596-09-4): 12.74 mg/L at 25 °C

Toxicity Data With Reference

1.    

eye-rbt 100 µL/24H SEV

     IJTOFN    International Journal of Toxicology. 16 (Suppl 2)(1997),3.
2.    

orl-rat LD50:1871 mg/kg

     ATDAEI    Acute Toxicity Data. Journal of the American College of Toxicology, Part B. 15 (Suppl 1),(1996),S88.

Safety Profile

Moderately toxic by ingestion. A severe eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

  2-Cyclohexyl-4-methylphenol with CAS registry number of 1596-09-4 is also known as 2-Cyclohexyl-p-cresol ; Phenol, 2-cyclohexyl-4-methyl- .