Record Information
Version1.0
Creation date2015-10-09 22:31:28 UTC
Update date2017-01-19 02:36:29 UTC
FoodComEx IDPC000599
FoodDB RecordFDB022773
Chemical Information
Name2-Ethyl-2-Hydroxybutyric acid
Description2-Ethyl-2-Hydroxybutyric acid is found in small amounts in the urine after intake of therapeutic doses of carbromal. Larger quantities are found in poisoning, hence its significance (PMID 13348692) [HMDB]
CAS Number3639-21-2
Structure
Thumb
Synonyms
SynonymSource
2-Ethyl-2-hydroxybutanoatehmdb
2-Ethyl-2-hydroxybutanoic acidhmdb
2-Ethyl-2-Hydroxybutyratehmdb
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
InChI KeyLXVSANCQXSSLPA-UHFFFAOYSA-N
Isomeric SMILESCCC(O)(CC)C(O)=O
Average Molecular Weight132.1577
Monoisotopic Molecular Weight132.07864425
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentHydroxy fatty acids
Alternative Parents
Substituents
  • Hydroxy fatty acid
  • Branched fatty acid
  • Hydroxy acid
  • Alpha-hydroxy acid
  • Tertiary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • 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 500 mg
Delivery TimeNot Available
Storage Formsolid
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
MetaSci HMDB0001975
Sigma-Aldrich HMDB0001975