Ethyl sorbate

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Systematic / IUPAC Name: Ethyl sorbate

ID: Reference6577

Other Names: (2E,4E)-Hexa-2,4-dienoic acid ethyl ester;
2,4-Hexadienoic acid, ethyl ester;
2,4-Hexadienoic acid, ethyl ester, (E,E)-;
2,4-Hexadienoic acid, ethyl ester, (E,E)-);
2,4-Hexadienoic acid, ethyl ester, (2E,4E)- ; more

Formula: C8H12O2

Class: Excipients/Additives/Colorants

Spectral Data

Ethyl sorbate 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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 239
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/20/2017 12:02:03 PM
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Identificators

InChI InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
InChI Key OZZYKXXGCOLLLO-TWTPFVCWSA-N
Canonical SMILES CCOC(=O)C=CC=CC
CAS 2396841
Splash
Other Names (2E,4E)-Hexa-2,4-dienoic acid ethyl ester;
2,4-Hexadienoic acid, ethyl ester;
2,4-Hexadienoic acid, ethyl ester, (E,E)-;
2,4-Hexadienoic acid, ethyl ester, (E,E)-);
2,4-Hexadienoic acid, ethyl ester, (2E,4E)-;
Ethyl (E,E)-2,4-hexadienoate;
Ethyl (2E,4E)-2,4-hexadienoate;
Ethyl (2E,4E)-hexa-2,4-dienoate;
Ethyl 2,4-hexadienoate, (E,E)-;
Ethyl hexa-2,4-dienoate;
Hexa-2,4-dienoic acid ethyl ester;
Sorbic acid ethyl ester;
Sorbic acid, ethyl ester

In Other Databases

ChemIDPlus 002396841
PubChem 1550470
HMDb HMDB40463
ChemSpider 1267058
ChEMBL CHEMBL398921