Introduction:Basic information about CAS 103-38-8|Butanoic acid,3-methyl-, phenylmethyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Butanoic acid,3-methyl-, phenylmethyl ester |
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| CAS Number | 103-38-8 | Molecular Weight | 192.25400 |
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| Density | 0.988 g/mL at 25 °C(lit.) | Boiling Point | 116 °C9 mm Hg(lit.) |
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| Molecular Formula | C12H16O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | >230 °F |
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Names
| Name | Benzyl Isovalerate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.988 g/mL at 25 °C(lit.) |
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| Boiling Point | 116 °C9 mm Hg(lit.) |
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| Molecular Formula | C12H16O2 |
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| Molecular Weight | 192.25400 |
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| Flash Point | >230 °F |
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| Exact Mass | 192.11500 |
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| PSA | 26.30000 |
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| LogP | 2.77590 |
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| Vapour Pressure | 0.0294mmHg at 25°C |
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| Index of Refraction | n20/D 1.488(lit.) |
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| InChIKey | HVJKZICIMIWFCP-UHFFFAOYSA-N |
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| SMILES | CC(C)CC(=O)OCc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NY1415000
- CHEMICAL NAME :
- Isovaleric acid, benzyl ester
- CAS REGISTRY NUMBER :
- 103-38-8
- BEILSTEIN REFERENCE NO. :
- 2503435
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C12-H16-O2
- MOLECULAR WEIGHT :
- 192.28
- WISWESSER LINE NOTATION :
- 1Y1&1VO1R
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,829,1974 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- 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: 12,829,1974
- 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: 12,829,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5074 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 | 2 |
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| RTECS | NY1415000 |
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| HS Code | 2915900090 |
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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
| benzyl 3-methylbutanoate |
| BENZYL ISOVALERATE |
| EINECS 203-106-7 |
| MFCD00048348 |