Record Information
Version1.0
Creation date2015-10-09 22:31:27 UTC
Update date2017-01-19 02:36:29 UTC
FoodComEx IDPC000597
FoodDB RecordFDB008135
Chemical Information
Name2-Methylbutanoic acid
DescriptionEthylmethylacetic acid is a carboxylic acid found in low amounts in normal humans (PMID 3372640) It has been described in the urine of individuals with 2-ethylhydracrylic aciduria associated with short/branched-chain acyl-CoA dehydrogenase deficiency (due to ACADSB gene mutations, OMIM 600301) (PMID 15615815) [HMDB]
CAS Number116-53-0
Structure
Thumb
Synonyms
SynonymSource
(+/-)-2-methylbutyrateHMDB
(+/-)-2-methylbutyric acidHMDB
2-Ethylpropanoic acidmanual
2-EthylpropionateHMDB
2-Ethylpropionic acidHMDB
2-MethybutyrateGenerator
2-Methybutyric acidChEBI
2-Methyl butyrateHMDB
2-Methyl butyric acidHMDB
2-Methyl-n-butyric acidmanual
2-MethylbutanoateHMDB
2-Methylbutanoic acidmanual
2-MethylbutyrateGenerator
2-Methylbutyric acidmanual
a-Methyl butyrateGenerator
a-Methyl butyric acidGenerator
a-MethylbutyrateGenerator
a-Methylbutyric acidGenerator
Active valeric acidmanual
alpha-Methyl butyrateGenerator
alpha-Methyl butyric acidChEBI
alpha-Methyl-n-butyric acidmanual
alpha-MethylbutyrateGenerator
alpha-Methylbutyric acidmanual
Butane-2-carboxylateGenerator
Butane-2-carboxylic aciddb_source
Butyric acid, 2-methyl- (6CI,8CI)manual
Butyric acid, alpha-methyl- (3CI)manual
D-2-Methyl butyrateHMDB
D-2-Methyl butyric acidHMDB
DL-2-Methy butyrateHMDB
DL-2-Methy butyric acidHMDB
DL-2-MethylbutyrateHMDB
EthylmethylacetateGenerator
Ethylmethylacetic aciddb_source
FEMA 2695db_source
MethylethylacetateGenerator
Methylethylacetic acidmanual
α-methyl butyrateGenerator
α-methyl butyric acidGenerator
α-methylbutyrateGenerator
α-methylbutyric acidGenerator
Chemical FormulaC5H10O2
IUPAC name2-methylbutanoic acid
InChI IdentifierInChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI KeyWLAMNBDJUVNPJU-UHFFFAOYSA-N
Isomeric SMILESCCC(C)C(O)=O
Average Molecular Weight102.1317
Monoisotopic Molecular Weight102.068079564
Chemical Taxonomy
Description Belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMethyl-branched fatty acids
Alternative Parents
Substituents
  • Methyl-branched fatty acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formliquid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci 2702AA
Toronto Research Chemicals M294865