Introduction：Basic information about CAS 3780-58-3|3-methylhexanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-methylhexanoic acid |
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| CAS Number | 3780-58-3 | Molecular Weight | 130.18500 |
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| Density | 0.935g/cm3 | Boiling Point | 215.3ºC at 760 mmHg |
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| Molecular Formula | C7H14O2 | Melting Point | / |
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| MSDS | / | Flash Point | 102.8ºC |
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Names
| Name | 3-methylhexanoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.935g/cm3 |
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| Boiling Point | 215.3ºC at 760 mmHg |
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| Molecular Formula | C7H14O2 |
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| Molecular Weight | 130.18500 |
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| Flash Point | 102.8ºC |
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| Exact Mass | 130.09900 |
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| PSA | 37.30000 |
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| LogP | 1.89730 |
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| Index of Refraction | 1.431 |
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| InChIKey | NZQMQVJXSRMTCJ-UHFFFAOYSA-N |
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| SMILES | CCCC(C)CC(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MO8400750
- CHEMICAL NAME :
- Hexanoic acid, 3-methyl-
- CAS REGISTRY NUMBER :
- 3780-58-3
- BEILSTEIN REFERENCE NO. :
- 1721252
- LAST UPDATED :
- 199712
- 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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Safety Information
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
| (+-)-3-methyl-hexanoic acid |
| 1,2,4-trimethylbutane |
| (+-)-3-Methyl-hexan |
| Hexane,3-methyl |
| DSSTox_CID_8974 |
| (+-)-3-Methyl-hexansaeure |
| 3-Methyl-hexane |
| 2-Ethylpentane |
