Record Information
Version1.0
Creation date2015-10-09 22:33:03 UTC
Update date2017-01-19 02:36:38 UTC
FoodComEx IDPC000844
FoodDB RecordFDB022221
Chemical Information
NameMesaconic acid
DescriptionMesaconic acid is one of several isomeric carboxylic acids obtained from citric acid. Is used as a fire retardant, recent studies revealed this acid is a competitive inhibitor of fumarate reduction. [HMDB]
CAS Number498-24-8
Structure
Thumb
Synonyms
SynonymSource
(2E)-2-Methyl-2-butenedioatehmdb
(2E)-2-Methyl-2-butenedioic acidhmdb
(e)-2-Methyl-2-butenedioateGenerator
(e)-2-Methyl-2-butenedioic acidChEBI
(E)-Citraconatehmdb
(E)-Citraconic acidhmdb
2-Methylfumaratehmdb
2-Methylfumaric acidhmdb
Citronatehmdb
Citronic acidhmdb
Mesaconatehmdb
Methylfumaratehmdb
Methylfumaric acidhmdb
trans-1-Propene-1,2-dicarboxylatehmdb
trans-1-Propene-1,2-dicarboxylic acidhmdb
trans-2-Methyl-2-butenedioatehmdb
trans-2-Methyl-2-butenedioic acidhmdb
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
InChI KeyHNEGQIOMVPPMNR-NSCUHMNNSA-N
Isomeric SMILESC\C(=C/C(O)=O)C(O)=O
Average Molecular Weight130.0987
Monoisotopic Molecular Weight130.02660868
Chemical Taxonomy
ClassificationNot classified
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 400 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 U554
Toronto Research Chemicals M225690