CAS Number97-61-0
Synonyms2-METHYL-N-VALERIC ACID; α-Methylvaleric acid; 2-methyl pentanoic acid; methylvaleric acid; methylpentanoic acid; 2-Methylvaleric acid; 2-methylpentanoic; 2-Methyl-valeric acid; acidemethylvalerique; 2-Methylvalerate; 2-Methylpentanoic acid; 2-Methylvalericacid; QVY3&1; 2-METHYL VALERIC ACID; 2-methyl-valericacid; EINECS 202-594-9; MFCD00002671
Molecular FormulaCH3CH2CH2CH(CH3)CO2H
Molecular Weight116.16
Purity≥98%
Density0.9±0.1 g/cm3
Boiling Point196-197 °C
Melting Point-85°C
EINECS202-594-9
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 97-61-0 |
| Catalog No. | 2A-9018019 |
| Chinese Name | 2-甲基戊酸 |
| Synonyms | 2-METHYL-N-VALERIC ACID; α-Methylvaleric acid; 2-methyl pentanoic acid; methylvaleric acid; methylpentanoic acid; 2-Methylvaleric acid; 2-methylpentanoic; 2-Methyl-valeric acid; acidemethylvalerique; 2-Methylvalerate; 2-Methylpentanoic acid; 2-Methylvalericacid; QVY3&1; 2-METHYL VALERIC ACID; 2-methyl-valericacid; EINECS 202-594-9; MFCD00002671 |
| Molecular Formula | CH3CH2CH2CH(CH3)CO2H |
| Molecular Weight | 116.16 |
| Purity | ≥98 |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 196-197 °C |
| Melting Point | -85°C |
| Storage Condition | Store in a cool, ventilated warehouse. Keep away f |
| Packaging | III |
| Application | 2-Methylvaleric acid (2-Methylpentanoic acid) is a short-chain fatty acid isolated from acacia plants and dairy products. 2-Methylvaleric acid is also found in animal feces. 2-Methylvaleric acid is a |
| EINECS | 202-594-9 |
| HTC | 2915900090 |
| PubChem ID | 24901311 |
| MDL Number | MFCD00002671 |
| SMILES | CCCC(C)C(O)=O |
| InChI | 1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChI Key | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1720658 |
| NACRES Code | NA.21 |
| eCl@ss | 39021337 |
| UNSPSC | 12164502 |
| Hazard Symbols | 8 |
| MSDS | msds/18019_1_97_61_0.pdf |
| Bioactivity | 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 |
| Use of | 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]. Properties Name 2-methylvaleric acid Synonym More Synonyms 2-Methylpentanoic acid Biological Activity 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 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 Molecular Formula C6H12O2 Exact Mass 116.083733 PSA 37.30000 Index of Refraction 1.425 InChIKey OVBFMEVBMNZIBR-UHFFFAOYSA-N SMILES CCCC(C)C(=O)O |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Imported food hygiene supervision and inspection S. Export food hygiene supervision and inspection M. Imported commodity inspection N. Exported commodity inspection |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3265 International Maritime Danger Regulations: 3265 International Air Transport Danger Regulations: 3265 14.2 United Nations shipping name European Land Transport Dangerous Regulations: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (2-Methylvaleric acid) IMDG: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (2-Methylvaleric acid) International air transport hazard regulations: Corrosive liquid, acidic, organic, n.o.s. (2-Methylvaleric acid) 14.3 Transport hazard categories European Dangerous Regulations for land transport: 8 International Dangerous Regulations for sea transport: 8 International Dangerous Regulations for air transport: 8 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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