Phenylethyl alcohol

Phenylethyl alcohol Structure
Phenylethyl alcohol
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Common Name Phenylethyl alcohol
CAS Number 60-12-8 Molecular Weight 122.164
Density 1.0±0.1 g/cm3 Boiling Point 218.2±8.0 °C at 760 mmHg
Molecular Formula C8H10O Melting Point −27 °C(lit.)
MSDS Chinese USA Flash Point 102.2±0.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of Phenylethyl alcohol


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.

 Names

Name 2-phenylethanol
Synonym More Synonyms

 Phenylethyl alcohol 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
Solvent
In Vitro:

H2O

Solubility
1 mM 8.1860 mL 40.9299 mL 81.8599 mL
5 mM 1.6372 mL 8.1860 mL 16.3720 mL
10 mM 0.8186 mL 4.0930 mL 8.1860 mL
Storage
Pure form -20°C 3 years
  4°C 2 years
In solvent -80°C 6 months
  -20°C 1 month
Shipping Room temperature in continental US; may vary elsewhere
SMILES OCCC1=CC=CC=C1
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 Molecules Captisol | Cyclosporin A | H2DCFDA | MPTP (hydrochloride) | GW4869 | Etomoxir | TD139 | Mitoquinone mesylate | GSK2795039 | JC-1 | Bapta-am | AP20187 | GKT137831 | D-Luciferin | Monocrotaline
Related Doc

SDS |COA |HNMR |LCMS

*The above documents are provided by Medchemexpress and are for scientific research only.

 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)

 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
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

 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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