Record Information
Version1.0
Creation date2015-10-09 22:29:22 UTC
Update date2017-01-19 02:36:17 UTC
FoodComEx IDPC000234
FoodDB RecordFDB003049
Chemical Information
NameHexadecanedioic acid
DescriptionHexadecanedioic acid, also known as 1,16-hexadecanedioate or thapsic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Hexadecanedioic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
CAS Number505-54-4
Structure
Thumb
Synonyms
SynonymSource
1, 14-Tetradecanedicarboxylic acidbiospider
1,14-Tetradecanedicarboxylatebiospider
1,14-Tetradecanedicarboxylic acidbiospider
1,16-Hexadecanedioatebiospider
1,16-Hexadecanedioic acidbiospider
A,w-tetradecanedicarboxylatebiospider
A,w-tetradecanedicarboxylic acidbiospider
Hexadecane-1, 16-dioic acidbiospider
Hexadecane-1,16-dioic acidbiospider
Hexadecanedioatebiospider
Hexadecanedioicbiospider
N-tetradecane-.omega.,.omega.'-dicarboxylic acidbiospider
N-tetradecane-omega,omega'-dicarboxylic acidbiospider
N-tetradecane-w,w'-dicarboxylatebiospider
N-tetradecane-w,w'-dicarboxylic acidbiospider
Thapsatebiospider
Thapsic aciddb_source
Chemical FormulaC16H30O4
IUPAC namehexadecanedioic acid
InChI IdentifierInChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
InChI KeyQQHJDPROMQRDLA-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CCCCCCCCCCCCCCC(O)=O
Average Molecular Weight286.407
Monoisotopic Molecular Weight286.214409448
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 126°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 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
AKSci C495
AKSci J90421
Fluka HMDB0000672
MetaSci HMDB0000672