97-61-0
Product Name:
2-METHYLVALERIC ACID
Formula:
C6H12O2
Synonyms:
(±)-2-Methylvaleric acid;2-Methylpentanoic acid;2-Methylvaleric acid;Valproic Acid Impurity L (PhEur)
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [Alfa Aesar MSDS] |
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Solubility | 1 ml in 1 ml 95% alcohol (in ethanol) |
Density | 0.919-0.922 |
Vapor Pressure | 0.44 [mmHg] |
Refractive Index | 1.411-1.416 |
Kovats Retention Index | 983.9 935 |
Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
Molecular Weight | 116.16 g/mol |
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XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 3 |
Exact Mass | 116.083729621 g/mol |
Monoisotopic Mass | 116.083729621 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 78.6 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2. It has a role as a flavouring agent, a plant metabolite and a fragrance. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid, a monocarboxylic acid and a short-chain fatty acid. It is a conjugate acid of a 2-methylvalerate.