Introduction：Basic information about CAS 58888-87-2|3-Ethylpentanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Ethylpentanoic acid |
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| CAS Number | 58888-87-2 | Molecular Weight | 130.185 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 215.3±8.0 °C at 760 mmHg |
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| Molecular Formula | C7H14O2 | Melting Point | / |
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| MSDS | / | Flash Point | 102.8±6.9 °C |
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Names
| Name | 3-ethylpentanoic acid |
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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 | 215.3±8.0 °C at 760 mmHg |
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| Molecular Formula | C7H14O2 |
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| Molecular Weight | 130.185 |
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| Flash Point | 102.8±6.9 °C |
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| Exact Mass | 130.099380 |
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| PSA | 37.30000 |
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| LogP | 2.19 |
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| Vapour Pressure | 0.1±0.9 mmHg at 25°C |
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| Index of Refraction | 1.431 |
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| InChIKey | ATUUSOSLBXVJKL-UHFFFAOYSA-N |
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| SMILES | CCC(CC)CC(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SA3688000
- CHEMICAL NAME :
- Pentanoic acid, 3-ethyl-
- CAS REGISTRY NUMBER :
- 58888-87-2
- BEILSTEIN REFERENCE NO. :
- 1747327
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H14-O2
- MOLECULAR WEIGHT :
- 130.21
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,453,1975
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Synonyms
| 3-ethyl-valeric acid |
| 3-Ethyl-pentancarbonsaeure |
| 3-Ethylpentanoicacid |
| 2-ethylbutanecarboxylic acid |
| Pentanoic acid,3-ethyl |
| 3-Aethyl-valeriansaeure |
| 3-Ethylpentanoic acid |
| Pentanoic acid, 3-ethyl- |
| 3-Ethyl-pentan-saeure |
