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Substance Name: Phenylethyl alcohol [USP]
RN: 60-12-8
UNII: ML9LGA7468
InChIKey: WRMNZCZEMHIOCP-UHFFFAOYSA-N

Note

  • An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 

Classification Codes

  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Disinfectants
  • Mutation Data
  • Pharmaceutic Aid (Antimicrobial Agent)
  • Pharmaceutic Aids
  • Preservatives, Pharmaceutical
  • Reproductive Effect
  • Skin / Eye Irritant

Names and Synonyms

Name of Substance

  • 2-Phenylethanol
  • Benzeneethanol
  • Phenethyl alcohol
  • Phenyl ethyl alcohol
  • Phenylethyl alcohol
  • Phenylethyl alcohol [USP]

MeSH Heading

  • Phenylethyl alcohol

Synonyms

  • 1-Phenyl-2-ethanol
  • 2-Hydroxyethylbenzene
  • 2-PEA
  • 2-Phenethyl alcohol
  • 2-Phenylethanol
  • 2-Phenylethyl alcohol
  • 4-06-00-03067 (Beilstein Handbook Reference)
  • AI3-00744
  • Benzeneethanol
  • Benzyl carbinol
  • Benzylcarbinol
  • Benzylmethanol
  • beta-Fenethylalkohol
  • beta-Fenethylalkohol [Czech]
  • beta-Fenylethanol
  • beta-Fenylethanol [Czech]
  • beta-Hydroxyethylbenzene
  • beta-Phenylethanol
  • BRN 1905732
  • Caswell No. 655C
  • EC 200-456-2
  • EINECS 200-456-2
  • EPA Pesticide Chemical Code 001503
  • Ethanol, 2-phenyl-
  • FEMA No. 2858
  • FEMA Number 2858
  • HSDB 5002
  • Methanol, benzyl-
  • NSC 406252
  • PEA
  • Phenethanol
  • Phenethyl alcohol
  • Phenethyl alcohol (natural)
  • Phenylethyl alcohol
  • UNII-ML9LGA7468

Systematic Names

  • 2-Phenylethanol
  • Benzeneethanol
  • Phenethyl alcohol

Superlist Names

  • Benzeneethanol
  • Phenethyl alcohol

Registry Numbers

CAS Registry Number

  • 60-12-8

FDA UNII

  • ML9LGA7468

Other Registry Number

  • 2043361-12-0

System Generated Number

  • 0000060128

Structure Descriptors

InChI

InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

WRMNZCZEMHIOCP-UHFFFAOYSA-N

Smiles

OCCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 200mg/kg (200mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4642, 1982.
guinea pig LD50 oral 2540mg/kg (2540mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
mouse LD50 oral 2540mg/kg (2540mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
mouse LDLo subcutaneous 1640mg/kg (1640mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: ATAXIA

BEHAVIORAL: GENERAL ANESTHETIC		 Journal of Pharmacology and Experimental Therapeutics. Vol. 14, Pg. 211, 1920.
rabbit LD50 skin 790uL/kg (0.79mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rabbit LDLo oral 2gm/kg (2000mg/kg)   Journal of Economic Entomology. Vol. 48, Pg. 139, 1955.
rat LC50 inhalation > 500mg/m3 (500mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: NORMOCYTIC ANEMIA		 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(10), Pg. 83, 1987.
rat LD50 oral 1790mg/kg (1790mg/kg) GASTROINTESTINAL: GASTRITIS

BEHAVIORAL: COMA		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.70E+01 deg C   EXP
Boiling Point 218.2 deg C   EXP
log P (octanol-water) 1.36 (none)   EXP
Water Solubility 2.22E+04 mg/L 25 EXP
Vapor Pressure 0.0868 mm Hg 25 EXP
Henry's Law Constant 2.56E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.02E-11 cm3/molecule-sec 25 EST

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