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Substance Name: alpha-Methylbenzyl alcohol
RN: 98-85-1
UNII: E6O895DQ52
InChIKey: WAPNOHKVXSQRPX-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 
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Names and Synonyms

Name of Substance

  • alpha-Methylbenzyl alcohol
  • Methylphenyl carbinol

Synonyms

  • (1-Hydroxyethyl)benzene
  • 1-Fenylethanol
  • 1-Fenylethanol [Czech]
  • 1-Phenethyl alcohol
  • 1-Phenyl-1-hydroxyethane
  • 1-Phenylethan-1-ol
  • 1-Phenylethanol
  • 1-Phenylethyl alcohol
  • AI3-02936
  • alpha-Methyl-benzmethanol
  • alpha-Methylbenzenemethanol
  • alpha-Phenethyl alcohol
  • alpha-Phenylethanol
  • alpha-Phenylethyl alcohol
  • Benzenemethanol, alpha-methyl-
  • Benzyl alcohol, alpha-methyl-
  • CCRIS 2367
  • EC 202-707-1
  • EINECS 202-707-1
  • EINECS 236-361-8
  • Ethanol, 1-phenyl-
  • FEMA No. 2685
  • FEMA Number 2685
  • Fenyl-methylkarbinol
  • Fenyl-methylkarbinol [Czech]
  • HSDB 4164
  • Methanol, methylphenyl-
  • Methylphenylcarbinol
  • NCI-C55685
  • NSC 25502
  • Phenylmethylcarbinol
  • Styrallyl alcohol
  • Styralyl alcohol
  • UNII-E6O895DQ52

Systematic Names

  • (1)-alpha-Methylbenzyl alcohol
  • 1-Phenylethanol
  • alpha-Methylbenzyl alcohol
  • Benzenemethanol, alpha-methyl-
  • Benzyl alcohol, alpha-methyl-

Superlist Names

  • alpha-Methylbenzyl alcohol
  • alpha-Methylbenzyl alcohol [UN2937] [Poison]
  • Benzyl alcohol, alpha-methyl-
  • UN2937

Registry Numbers

CAS Registry Number

  • 98-85-1

FDA UNII

  • E6O895DQ52

Other Registry Number

  • 13323-81-4

System Generated Number

  • 0000098851

Structure Descriptors

InChI

1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3

InChIKey

WAPNOHKVXSQRPX-UHFFFAOYSA-N

Smiles

c1(ccccc1)C(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 15, Pg. 129, 1920.
guinea pig LD50 skin > 15mL/kg (15mL/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 695, 1969.
mouse LD50 oral 558mg/kg (558mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(11), Pg. 51, 1985.
mouse LD50 subcutaneous 250mg/kg (250mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
rat LD50 oral 400mg/kg (400mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 20 deg C   EXP
Boiling Point 205 deg C   EXP
log P (octanol-water) 1.490 (none)   EST
Water Solubility 1950 mg/L 25 EXP
Vapor Pressure 0.058 mm Hg 25 EST
Henry's Law Constant 2.89E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.17E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.