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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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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
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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,6-7H2InChIKey
WRMNZCZEMHIOCP-UHFFFAOYSA-NSmiles
OCCc1ccccc1Toxicity
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.