Introduction：Basic information about CAS 557-00-6|PROPYL ISOPENTANOATE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | PROPYL ISOPENTANOATE |
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| CAS Number | 557-00-6 | Molecular Weight | 144.211 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 156.3±8.0 °C at 760 mmHg |
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| Molecular Formula | C8H16O2 | Melting Point | / |
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| MSDS | / | Flash Point | 46.7±8.3 °C |
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| Symbol |
GHS02 | Signal Word | Warning |
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Names
| Name | propyl 3-methylbutanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 156.3±8.0 °C at 760 mmHg |
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| Molecular Formula | C8H16O2 |
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| Molecular Weight | 144.211 |
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| Flash Point | 46.7±8.3 °C |
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| Exact Mass | 144.115036 |
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| PSA | 26.30000 |
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| LogP | 2.65 |
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| Vapour Pressure | 2.9±0.3 mmHg at 25°C |
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| Index of Refraction | 1.411 |
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| InChIKey | LSJMDWFAADPNAX-UHFFFAOYSA-N |
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| SMILES | CCCOC(=O)CC(C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NY1512000
- CHEMICAL NAME :
- Isovaleric acid, propyl ester
- CAS REGISTRY NUMBER :
- 557-00-6
- BEILSTEIN REFERENCE NO. :
- 1747146
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H16-O2
- MOLECULAR WEIGHT :
- 144.24
- WISWESSER LINE NOTATION :
- 3OV1Y1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 8222 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972
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Safety Information
| Symbol |
GHS02 |
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| Signal Word | Warning |
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| Hazard Statements | H226 |
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| Risk Phrases | R10 |
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| Safety Phrases | 16 |
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| RIDADR | UN 3272 3/PG 3 |
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| RTECS | NY1512000 |
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Articles1
More Articles
| Organoleptic Characteristics of Flavor Materials Michalski, J. Perfum. Flavor. 39(4) , 50, (2014)
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Synonyms
| PROPYL ISOPENTANOATE |
| Butanoic acid, 3-methyl-, propyl ester |
| Isovaleric acid,propyl ester |
| Isovaleric acid, propyl ester |
| Propyl 3-methylbutyrate |
| Butanoic acid,3-methyl-,propyl ester |
| Butyric acid, 3-methyl-, propyl ester |
| Propyl isovalerianate |
| propyl iso-valerianate |
| EINECS 209-148-2 |
| Isovaleriansaeure-propylester |
| 3-methyl-butanoic acid,propyl ester |
| FEMA No. 2960 |
| Propyl 3-methylbutanoate |
| 3OV1Y1&1 |
| PropylIsovalerate |
