CAS 97-61-0|2-Methylpentanoic acid
| Common Name | 2-Methylpentanoic acid | ||
|---|---|---|---|
| CAS Number | 97-61-0 | Molecular Weight | 116.158 |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 195.4±8.0 °C at 760 mmHg |
| Molecular Formula | C6H12O2 | Melting Point | -85°C |
| MSDS | ChineseUSA | Flash Point | 91.1±0.0 °C |
| Symbol | GHS05 | Signal Word | Danger |
Names
| Name | 2-methylvaleric acid |
|---|---|
| Synonym | More Synonyms |
2-Methylpentanoic acid BiologicalActivity
| Description | 2-Methylvaleric acid (2-Methylpentanoic acid) is a short-chain fatty acid isolated from Campomanesia adamantium and dairy products. 2-Methylvaleric acid is also found in animal feces. 2-Methylvaleric acid is a flavor compound used for food-flavor ingredient, fragrances[1][2][3]. |
|---|---|
| Related Catalog | Research Areas >>Metabolic Disease |
| Target | Human Endogenous Metabolite |
| References | [1]. CHARLOTTE P. BRENNAND, et al. AROMA PROPERTIES AND THRESHOLDS OF SOME BRANCHED‐CHAIN AND OTHER MINOR VOLATILE FATTY ACIDS OCCURRING IN MILKFAT AND MEAT LIPIDS1. September 1989. [2]. StoneSá, et al. Phytochemistry and antimicrobial activity of Campomanesia adamantium. Revista Brasileira de Farmacognosia. Volume 28, Issue 3, May–June 2018, Pages 303-311 [3]. Menghan Li, et al. A sensitive method for the quantification of short-chain fatty acids by benzyl chloroformate derivatization combined with GC-MS. Analyst. 2020 Apr 7;145(7):2692-2700. |
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 195.4±8.0 °C at 760 mmHg |
| Melting Point | -85°C |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.158 |
| Flash Point | 91.1±0.0 °C |
| Exact Mass | 116.083733 |
| PSA | 37.30000 |
| LogP | 1.66 |
| Vapour Pressure | 0.2±0.8 mmHg at 25°C |
| Index of Refraction | 1.425 |
| InChIKey | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
| SMILES | CCCC(C)C(=O)O |
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 onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,763,1982 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2040 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,763,1982
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-S27 |
| RIDADR | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| RTECS | YV7700000 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2915900090 |
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% |
Articles9
More Articles| Ruminal degradation of quercetin and its influence on fermentation in ruminants. J. Dairy Sci. 98 , 5688-98, (2015) The aim of the present study was to investigate the ruminal degradation of the flavonol quercetin and to determine its potential antimicrobial effects on ruminal fermentation in cows. Ruminal degradat... | |
| Physical Properties, Volatiles Compositions and Sensory Descriptions of the Aromatized Hazelnut Oil-Wax Organogels. J. Food Sci. 80 , S2035-44, (2015) The purpose of this study was to determine the physicochemical, thermal and sensorial features of vitamin enriched and aromatized hazelnut oil-beeswax and sunflower wax organogels. Another objective w... | |
| Internal standards for gas chromatographic analysis of metabolic end products from anaerobic bacteria. Appl. Environ. Microbiol. 33(4) , 1002-3, (1977) 2-Methylpentanoic acid and benzoic acid are suggested for use as routine internal standards for gas chromatographic analysis of microbial end products. |
Synonyms
| 2-METHYL-N-VALERIC ACID |
| α-Methylvaleric acid |
| 2-methyl pentanoic acid |
| 2-METHYLPENTANOIC ACID FOR SYNTHESIS |
| methylvaleric acid |
| methylpentanoic acid |
| 2-Methylvaleric acid |
| 2-methylpentanoic |
| 2-Methyl-valeric acid |
| Valeric acid, 2-methyl- |
| PENTANOIC ACID,2-METHYL- |
| Pentanoic acid, 2-methyl- |
| acidemethylvalerique |
| 2-Methylvalerate |
| 2-Methylpentanoic acid |
| 2-Methylvalericacid |
| QVY3&1 |
| 2-METHYL VALERIC ACID |
| 2-methyl-valericacid |
| EINECS 202-594-9 |
| MFCD00002671 |
