CAS 4536-23-6|2-Methylhexanoic acid
Introduction：Basic information about CAS 4536-23-6|2-Methylhexanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Methylhexanoic acid | ||
|---|---|---|---|
| CAS Number | 4536-23-6 | Molecular Weight | 130.18500 |
| Density | 0.918 g/mL at 25 °C(lit.) | Boiling Point | 209-210 °C(lit.) |
| Molecular Formula | C7H14O2 | Melting Point | 209-210 °C |
| MSDS | ChineseUSA | Flash Point | 222 °F |
| Symbol | GHS05 | Signal Word | Danger |
Names
| Name | 2-Methylhexanoic acid |
|---|---|
| Synonym | More Synonyms |
2-Methylhexanoic acid BiologicalActivity
| Description | 2-methylhexanoic acid is a medium-chain fatty acid and is used as flavouring[1]. |
|---|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
| References | [1]. Api AM, et al. RIFM fragrance ingredient safety assessment, 2-methylhexanoic acid, CAS Registry Number 4536-23-6. Food Chem Toxicol. 2018 Sep;118 Suppl 1:S201-S209. |
Chemical & Physical Properties
| Density | 0.918 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 209-210 °C(lit.) |
| Melting Point | 209-210 °C |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.18500 |
| Flash Point | 222 °F |
| Exact Mass | 130.09900 |
| PSA | 37.30000 |
| LogP | 1.89730 |
| Index of Refraction | n20/D 1.422(lit.) |
| InChIKey | CVKMFSAVYPAZTQ-UHFFFAOYSA-N |
| SMILES | CCCCC(C)C(=O)O |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 3 gm/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - other effects
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB91-197418
Safety Information
| Symbol | GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R34 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | UN 3265 8/PG 2 |
| WGK Germany | 2 |
| RTECS | MO8400600 |
| 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% |
Articles3
More Articles| Blood cultures evaluation by gas chromatography of volatile fatty acids. Med. Sci. Monit. 6(3) , 605-10, (2000) The volatile fatty acid profiles were determined by a simple gas chromatographic method in 375 microbiologically positive and negative blood cultures. Aerobic bacteria yielded profiles with low conten... | |
| Natural organic compounds as alternative to methyl bromide for nematodes control. J. Environ. Sci. Health B 43(8) , 680-5, (2008) Thirty-three organic acids and furfural metabolites were examined for their nematicidal activity against plant-parasitic, free-living and predacious nematodes. Propionic acid, 2-methylhexanoic acid, l... | |
| How is chemical interesterification initiated: Nucleophilic substitution or a-proton abstraction?. Liu L. J. Am. Oil Chem. Soc. 81(4) , 331-7, (2004) |
Synonyms
| CARBOXYLIC ACID C7 |
| rac-2-methylhexanoic acid |
| R-2-methyl hexanoic acid |
| 2-methyl-hexanoicaci |
| a-Methylcaproic acid |
| 2-hexanecarboxylicacid |
| 2-Methylcaproic acid |
| (+/-)-2-methylhexanoic acid |
| MFCD00002674 |
| EINECS 224-883-9 |
