CAS 646-07-1|4-Methylpentanoic acid
Introduction：Basic information about CAS 646-07-1|4-Methylpentanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Methylpentanoic acid | ||
|---|---|---|---|
| CAS Number | 646-07-1 | Molecular Weight | 116.158 |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 201.0±0.0 °C at 760 mmHg |
| Molecular Formula | C6H12O2 | Melting Point | -35 °C |
| MSDS | ChineseUSA | Flash Point | 97.2±0.0 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | isocaproic acid |
|---|---|
| Synonym | More Synonyms |
4-Methylpentanoic acid BiologicalActivity
| Description | 4-Methylpentanoic acid (Isocaproic Acid) is a Short chain fatty acid (SCFA)[1]. |
|---|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
| References | [1]. Skonieczna-Żydecka K, et al. Faecal Short Chain Fatty Acids Profile is Changed in Polish Depressive Women. Nutrients. 2018 Dec 7;10(12). |
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 201.0±0.0 °C at 760 mmHg |
| Melting Point | -35 °C |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.158 |
| Flash Point | 97.2±0.0 °C |
| Exact Mass | 116.083733 |
| PSA | 37.30000 |
| LogP | 1.66 |
| Vapour Pressure | 0.1±0.8 mmHg at 25°C |
| Index of Refraction | 1.425 |
| InChIKey | FGKJLKRYENPLQH-UHFFFAOYSA-N |
| SMILES | CC(C)CCC(=O)O |
| Stability | Stable. Incompatible with strong bases, strong oxidizing agents. |
| Water Solubility | INSOLUBLE |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2050 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1050 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H311-H315 |
| Precautionary Statements | P280-P312 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive;Xn:Harmful; |
| Risk Phrases | R21;R34;R38 |
| Safety Phrases | S36/37-S45-S36/37/39-S25 |
| RIDADR | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | NR2975000 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 29159080 |
Customs
| HS Code | 2915900090 |
|---|---|
| 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
| Isocaproic acid |
| Pentanoic acid, 4-methyl- |
| QV2Y1&1 |
| Valeric acid, 4-methyl- |
| 4-Methylvaleric acid |
| EINECS 211-464-0 |
| 4-Methyl-n-valeric acid |
| MFCD00002803 |
| 4-Methylpentanoic acid |
