Introduction：Basic information about CAS 140-26-1|Phenylethyl isovalerate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Phenylethyl isovalerate |
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| CAS Number | 140-26-1 | Molecular Weight | 206.281 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 281.9±9.0 °C at 760 mmHg |
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| Molecular Formula | C13H18O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 108.0±17.1 °C |
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Names
| Name | 2-Phenylethyl Isovalerate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 281.9±9.0 °C at 760 mmHg |
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| Molecular Formula | C13H18O2 |
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| Molecular Weight | 206.281 |
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| Flash Point | 108.0±17.1 °C |
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| Exact Mass | 206.130676 |
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| PSA | 26.30000 |
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| LogP | 3.71 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.494 |
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| InChIKey | JIMGVOCOYZFDKB-UHFFFAOYSA-N |
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| SMILES | CC(C)CC(=O)OCCc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NY1511500
- CHEMICAL NAME :
- Isovaleric acid, phenethyl ester
- CAS REGISTRY NUMBER :
- 140-26-1
- BEILSTEIN REFERENCE NO. :
- 2504902
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C13-H18-O2
- MOLECULAR WEIGHT :
- 206.31
- WISWESSER LINE NOTATION :
- 1Y1&1VO2R
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6220 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 6220 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,961,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 6220 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4859 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves |
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| Safety Phrases | S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 1 |
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| RTECS | NY1511500 |
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| HS Code | 2915600000 |
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Customs
| HS Code | 2915900090 |
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| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
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Synonyms
| Isovaleric Acid Phenethyl Ester |
| 2-Phenylethyl 3-methylbutanoate |
| Isovaleric Acid 2-Phenylethyl Ester |
| MFCD00044322 |
| EINECS 205-406-3 |
| Benzyl carbinyl isovalerianate,Phenethyl isopentanoate |
| Butanoic acid, 3-methyl-, 2-phenylethyl ester |
| Phenylethyl isovalerate |
| β-Phenylethyl isovalerate |
| Phenethyl Isovalerate |
