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W245909

Sigma-Aldrich

Ethyl sorbate

≥97%, FG

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Synonym(s):
Ethyl trans,trans-2,4-hexadienoate
Linear Formula:
CH3CH=CHCH=CHCO2C2H5
CAS Number:
2396-84-1
Molecular Weight:
140.18
FEMA Number:
2459
Beilstein:
1362941
EC Number:
219-258-2
Council of Europe no.:
635
MDL number:
MFCD00009296
UNSPSC Code:
12164502
PubChem Substance ID:
24901106
Flavis number:
9.194
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Kosher

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

Assay

≥97%

refractive index

n20/D 1.494 (lit.)

bp

82-83 °C/13 mmHg (lit.)

density

0.956 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

fruity; ethereal

SMILES string

CCOC(=O)\C=C\C=C\C

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

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General description

Ethyl sorbate has been reported to be found in sparkling wine, when sorbic acid is used as a preservative.

WGK

WGK 2

Flash Point(F)

156.2 °F

Flash Point(C)

69 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Wine constituents arising from sorbic acid addition, and identification of 2-ethoxyhexa-3, 5-diene as source of geranium-like off-odor
Crowell EA and JF Guymon
American Journal of Enology and Viticulture, 26(2), 97-102 (1975)
Sorbic acid as a preservative in sparkling wine. Its efficacy and adverse flavor effect associated with ethyl sorbate formation
De Rosa T, et al
American Journal of Enology and Viticulture, 34(2), 98-102 (1983)
Balasubramanian Narasimhan et al.
Bioorganic & medicinal chemistry letters, 17(21), 5836-5845 (2007-09-18)
A new series of 2,4-hexadienoic acid derivatives (S(1)-S(42)) has been synthesized and evaluated as antimicrobial agents against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Candida albicans, and Aspergillus niger. Quantitative structure-activity relationship (QSAR) investigation using Hansch analysis was applied to find

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