isovaleric acid

GPTKB entity

Statements (33)
Predicate Object
gptkbp:instanceOf gptkb:carboxylic_acid
gptkbp:appearance colorless liquid
gptkbp:aroma unpleasant, cheesy
gptkbp:boilingPoint 175–177 °C
gptkbp:CASNumber 503-74-2
gptkbp:cause gptkb:isovaleric_acidemia
gptkbp:chemicalFormula C5H10O2
gptkbp:density 0.93 g/cm³
gptkbp:foundIn gptkb:cheese
essential oils
foot sweat
gptkbp:hasInChIKey InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
gptkbp:hasSMILES CC(C)CC(=O)O
https://www.w3.org/2000/01/rdf-schema#label isovaleric acid
gptkbp:isConjugateBaseOf isovalerate
gptkbp:IUPACName 3-methylbutanoic acid
gptkbp:KEGGID C00422
gptkbp:meltingPoint -29 °C
gptkbp:molecularWeight 102.13 g/mol
gptkbp:producedBy fermentation
gptkbp:PubChem_CID 10457
28842
gptkbp:relatedTo leucine
isovalerate
valeric acid
gptkbp:solubility slightly soluble
gptkbp:UNII Q364E66038
gptkbp:used_in gptkb:perfume
pharmaceuticals
flavoring
gptkbp:bfsParent gptkb:Valeriana_officinalis
gptkb:Volatile_Fatty_Acids
gptkbp:bfsLayer 6