Record Information
Version1.0
Creation date2015-10-09 22:28:08 UTC
Update date2017-01-19 02:36:12 UTC
FoodComEx IDPC000086
FoodDB RecordFDB001088
Chemical Information
Name(E)-2-Octenoic acid
DescriptionFood flavourant for baked goods and candies As to unsaturated acids, those with eight carbon atoms, 2-octenoic acid (trans-8: 1[2]) and 2-octynoic acid (8:::1[2]), increase the susceptibility to infection and fluidity while low concentrations of monounsaturated acids with 14 and 18 carbon atoms, myristoleic acid (cis-14:1[9]) and oleic acid (cis-18:1[9]), reduce both the susceptibility to infection and the fluidity of the membrane. [Pubmed 1963884].
CAS Number1871-67-6
Structure
Thumb
Synonyms
SynonymSource
(2E)-2-Octenoic acidbiospider
(E)-2-Octenoatebiospider
(E)-2-Octenoic acidbiospider
(E)-Oct-2-enoatebiospider
(E)-Oct-2-enoic acidbiospider
2-Octenoic acid, (2E)-biospider
2-Octenoic acid, (E)-biospider
2E-octenoic acidbiospider
FEMA 3957db_source
trans-2-Octenoatebiospider
trans-2-Octenoic acidbiospider
Chemical FormulaC8H14O2
IUPAC name(2E)-oct-2-enoic acid
InChI IdentifierInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6-
InChI KeyCWMPPVPFLSZGCY-SREVYHEPSA-N
Isomeric SMILESCCCCC\C=C/C(O)=O
Average Molecular Weight142.1956
Monoisotopic Molecular Weight142.099379692
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • Unsaturated fatty acid
  • Straight chain 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 logP2.9
Experimental Water SolubilityNot Available
Melting PointMp 2°DFC
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 300 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 HMDB0000392
Sigma-Aldrich HMDB0000392