Phenethyl alcohol

Names

[ CAS No. ]:
60-12-8

[ Name ]:
Phenethyl alcohol

[Synonym ]:
β-Phenylethyl alcohol
Phenethyl alcohol
b-Phenylethanol
β-Phenylethanol
3a-Nortropanol
2-Hydroxyethylbenzene
(3-endo)-8-Azabicyclo[3.2.1]octan-3-ol hydrochloride (1:1)
Phenylethyl alcohol (USP)
EINECS 200-456-2
endo-8-azabicyclo(3.2.1)octan-3-ol hydrochloride
β-phenylethyl alcoho
8-Aza-bicyclo[3.2.1]octan-3-ol HCl
b-pea
Nortropin
MFCD00002886
(2-Hydroxyethyl)benzene
8-Azabicyclo[3.2.1]octan-3-ol
Tropigenin
nortropenol
phenylethanol
β-Phenethyl alcohol
b-Phenylethyl alcohol
(3-endo)-8-Azabicyclo[3.2.1]octan-3-olato(2-) hydrochloride (1:1)
endo-8-Azabicyclo[3.2.1]octan-3-ol
nortropan-3endo-ol
N-Demethyltropine
PEA
N-normethyltropine
Benzeneethanol
Phenyl Ethanol
Q2R
3-hydroxy-nortropan
NOR-TROPANOL
2-Phenylethanol
b-Phenethanol
8-Azabicyclo[3.2.1]octan-3-ol, (3-endo), hydrochloride (1:1)
b-Hydroxyethylbenzene
β-PEA
Tropigenine
Phenethylalcohol
Phenylethyl alcohol
β-Hydroxyethylbenzene

Biological Activity

[Description]:

2-Phenylethanol (Phenethyl alcohol), extracted from rose, carnation, hyacinth, Aleppo pine, orange blossom and other organisms, is a colourless liquid that is slightly soluble in water. It has a pleasant floral odor and also an autoantibiotic produced by the fungus Candida albicans[1]. It is used as an additive in cigarettes and also used as a preservative in soaps due to its stability in basic conditions.

[Related Catalog]:

Signaling Pathways >> Others >> Others

Research Areas >> Infection

Natural Products >> Phenols

[References]

[1]. Lingappa BT, et al. Phenethyl alcohol and tryptophol: autoantibiotics produced by the fungus Candida albicans. Science. 1969 Jan 10;163(3863):192-4.

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
218.2±8.0 °C at 760 mmHg

[ Melting Point ]:
−27 °C(lit.)

[ Molecular Formula ]:
C₈H₁₀O

[ Molecular Weight ]:
122.164

[ Flash Point ]:
102.2±0.0 °C

[ Exact Mass ]:
122.073166

[ PSA ]:
20.23000

[ LogP ]:
1.36

[ Vapour density ]:
4.21 (vs air)

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.536

[ Stability ]:
Stable. Substances to be avoided include strong acids and strong oxidizing agents. Combustible.

[ Water Solubility ]:
20 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SG7175000

CHEMICAL NAME :: Phenethyl alcohol

CAS REGISTRY NUMBER :: 60-12-8

BEILSTEIN REFERENCE NO. :: 1905732

LAST UPDATED :: 199710

DATA ITEMS CITED :: 25

MOLECULAR FORMULA :: C8-H10-O

MOLECULAR WEIGHT :: 122.18

WISWESSER LINE NOTATION :: Q2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1790 mg/kg

TOXIC EFFECTS :: Behavioral - coma Gastrointestinal - gastritis

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/m3

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Blood - normocytic anemia Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2540 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1640 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - ataxia Behavioral - coma

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 790 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 2540 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6 gm/kg/30D-I

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in leukocyte (WBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6052 mg/kg/17W-I

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 43 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 430 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 14 gm/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 4300 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

MUTATION DATA

TYPE OF TEST :: Mutation test systems - not otherwise specified

TEST SYSTEM :: Rodent - mouse Ascites tumor

DOSE/DURATION :: 8360 umol/L

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 22,2511,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80836 No. of Facilities: 873 (estimated) No. of Industries: 22 No. of Occupations: 41 No. of Employees: 34310 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80836 No. of Facilities: 10505 (estimated) No. of Industries: 44 No. of Occupations: 77 No. of Employees: 161595 (estimated) No. of Female Employees: 92702 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H319

[ Precautionary Statements ]:
P301 + P312 + P330-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R21/22;R36/38

[ Safety Phrases ]:
S26-S28-S36/37-S36/37/39

[ RIDADR ]:
UN 2810 6.1/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
SG7175000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2906291000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2906291000

[ Summary ]:
HS:2906291000 2-phenylethanol VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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Related Compounds

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