CAS 60-12-8|Phenethyl alcohol
| Common Name | Phenethyl 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 | ChineseUSA | Flash Point | 102.2±0.0 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 2-phenylethanol |
|---|---|
| Synonym | More Synonyms |
Phenethyl alcohol BiologicalActivity
| 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 >>OthersResearch Areas >>InfectionNatural 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. |
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 |
| InChIKey | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| SMILES | OCCc1ccccc1 |
| 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 |
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)
- 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 |
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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Synonyms
| 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 |
