2-Methylbutanoic acid
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2-Methylbutanoic acid
structure -
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CAS No:
116-53-0
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Formula:
C5H10O2
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Chemical Name:
2-Methylbutanoic acid
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Synonyms:
Butanoic acid,2-methyl-;Butyric acid,2-methyl-;Butyric acid,α-methyl-;2-Methylbutanoic acid;Active valeric acid;Ethylmethylacetic acid;2-Methylbutyric acid;α-Methylbutyric acid;Methylethylacetic acid;α-Methyl-n-butyric acid;2-Methyl-n-butyric acid;DL-2-Methylbutyric acid;(±)-2-Methylbutyric acid;(±)-Methylethylacetic acid;DL-2-Methylbutanoic acid;DL-α-Methylbutyric acid;(±)-2-Methylbutanoic acid;(±)-α-Methylbutyric acid;2-Ethylpropanoic acid;NSC 7304;Hydroangelic acid;600-07-7
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CAS No:
Description
2-Methylbutyric acid has a pungent, acrid odor similar to Roquefort cheese with an acrid taste. At low dilutions, it has a pleasant, fruity taste clear colorless to pale yellowish liquidChEBI: A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria.2-methyl butyric acid has a pungent, acrid odor which is similar to Roquefort cheese with an acrid taste. At low dilutions, it has a pleasant fruity
Liquid|Solid|colourless to pale yellow liquid
2-methylbutyric acid is a methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. It has a role as a bacterial metabolite and a human metabolite. It is a conjugate acid of a 2-methylbutyrate.
Characteristics
37.3
1.2
Clear colorless to pale yellow Liquid
0.9332 g/cm3 @ Temp: 20 °C
-70 °C
176.5 °C
165 °F
n 20/D 1.405(lit.)
H2O: 45 g/L (20 ºC)
0-6°C
0.5 mm Hg ( 20 °C)
1.6-7.3%(V)
Safety Information
III
8
UN 3265 8/PG 3
1
21/22-34
26-36/37/39-45
EK7897000
C
P280-P305 + P351 + P338-P310
H302 + H312-H314
|Danger|H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P390, P404, P405, and P501|Aggregated GHS information provided by 89 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (99.83%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 1749 companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Methylbutanoic acid Use and Manufacturing
Derived from the oxidation of fusel oil. Derived from methyl ethyl malonic acid by heating decarboxylation.
Used in the synthesis of 2-methylbutyric anhydride
Intermediates
All other chemical product and preparation manufacturing|Butanoic acid, 2-methyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Flavoring Agents
Computed Properties
Molecular Weight:102.13
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:102.068079557
Monoisotopic Mass:102.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:68.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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