Sorbic acid

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Systematic / IUPAC Name: (2E,4E)-Hexa-2,4-dienoic acid

ID: Reference2754

Other Names: α-trans-γ-trans-Sorbic acid;
(E,E)-2,4-Hexadienoic acid;
(E,E)-Sorbic acid;
(2E,4E)-2,4-Hexadienoic acid;
trans-,trans-2,4-Hexadienoic acid ; more

Formula: C6H8O2

Class: Extractables/Leachables Excipients/Additives/Colorants Industrial Chemicals Endogenous Metabolites Personal Care Products/Cosmetics

Spectral Data

Sorbic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 185
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/2/2015 2:16:53 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
InChI Key WSWCOQWTEOXDQX-MQQKCMAXSA-N
Canonical SMILES CC=CC=CC(=O)O
CAS 110441
Splash
Other Names α-trans-γ-trans-Sorbic acid;
(E,E)-2,4-Hexadienoic acid;
(E,E)-Sorbic acid;
(2E,4E)-2,4-Hexadienoic acid;
trans-,trans-2,4-Hexadienoic acid;
trans-,trans-Sorbic acid;
trans-trans-2,4-Hexadienoic acid;
2,4-Hexadienoic acid, (E,E)-;
2,4-Hexadienoic acid, (trans-,trans-)-;
2,4-Hexadienoic acid, (2E,4E)-;
2E,4E-Hexadienoic acid;
Acidum sorbicum;
Hexa-2,4-dienoic acid;
Hexa-2,4-dienoic acid, (E,E)-;
Hexadienoic acid;
Hexadienoic acid, (E,E);
Panosorb;
Preservastat;
Sorbistat;
(E,E)-1,3-Pentadiene-1-carboxylic acid;
(2-Butenylidene)acetic acid;
1,3-Pentadiene-1-carboxylic acid;
1,3-Pentadiene-1-carboxylic acid, (E,E)-;
2-Propenylacrylic acid;
Acetic acid, (2-butenylidene)-;
Acetic acid, crotylidene-;
Crotylidene acetic acid

In Other Databases

PubChem 643460
ChemSpider 558605
ChemIDPlus 000110441; 000590001; 007492559; 007757815; 024634615; 016899722; 022500921; 079403364
HMDb HMDB29581
KEGG D02411; D05892
ChEBI CHEBI:38358
Wikipedia Sorbic acid
LipidsMAPs LMFA01030100