Introduction：Basic information about CAS 103-58-2|Propanoic acid,2-methyl-, 3-phenylpropyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Propanoic acid,2-methyl-, 3-phenylpropyl ester |
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| CAS Number | 103-58-2 | Molecular Weight | 206.28100 |
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| Density | 0.979 g/mL at 25ºC(lit.) | Boiling Point | 291.6ºC at 760 mmHg |
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| Molecular Formula | C13H18O2 | Melting Point | -60ºC |
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| MSDS | ChineseUSA | Flash Point | 114.5ºC |
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Names
| Name | 3-Phenylpropyl Isobutyrate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.979 g/mL at 25ºC(lit.) |
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| Boiling Point | 291.6ºC at 760 mmHg |
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| Melting Point | -60ºC |
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| Molecular Formula | C13H18O2 |
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| Molecular Weight | 206.28100 |
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| Flash Point | 114.5ºC |
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| Exact Mass | 206.13100 |
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| PSA | 26.30000 |
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| LogP | 2.81840 |
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| Vapour Pressure | 0.00193mmHg at 25°C |
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| Index of Refraction | n20/D 1.486(lit.) |
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| InChIKey | VBTAKMZSMFMLGT-UHFFFAOYSA-N |
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| SMILES | CC(C)C(=O)OCCCc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NQ5440000
- CHEMICAL NAME :
- Isobutyric acid, 3-phenylpropyl ester
- CAS REGISTRY NUMBER :
- 103-58-2
- BEILSTEIN REFERENCE NO. :
- 2454387
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H18-O2
- MOLECULAR WEIGHT :
- 206.31
- WISWESSER LINE NOTATION :
- 1Y1&VO3R
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: 16,851,1978
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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 | NQ5440000 |
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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
| Isobutyric Acid 3-Phenylpropyl Ester |
| MFCD00082227 |
| 3-PHENYLPROPYL ISOBUTYRATE |
| 3-phenylpropyl 2-methylpropanoate |
| EINECS 203-125-0 |
