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W392103

Sigma-Aldrich

2,4-Hexadienoic acid

≥99%, FCC

Synonym(s):

Sorbic acid, α-trans-γ-trans-Sorbic acid, (E,E)-1,3-Pentadiene-1-carboxylic acid, 2,4-Hexadienoic acid, 2E,4E-Hexadienoic acid, trans,trans-2,4-Hexadienoic acid, C6:2n-2,4, NSC 35405, NSC 49103, NSC 50268

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About This Item

Linear Formula:
CH3CH=CHCH=CHCOOH
CAS Number:
110-44-1
Molecular Weight:
112.13
FEMA Number:
3921
Beilstein:
1098547
EC Number:
203-768-7
MDL number:
MFCD00002703
UNSPSC Code:
12164502
PubChem Substance ID:
24901937
Flavis number:
8.085
NACRES:
NA.21

biological source

synthetic

Agency

meets purity specifications of JECFA

reg. compliance

FCC
FDA 21 CFR 166.110
FDA 21 CFR 172.872
FDA 21 CFR 177.2260
FDA 21 CFR 181.23
FDA 21 CFR 182.3089

vapor pressure

0.01 mmHg ( 20 °C)

Assay

≥99%

form

powder

mp

132-135 °C (lit.)

solubility

ethanol: 10%, clear, colorless to slightly yellow

density

1.2 g/cm3 at 20 °C

cation traces

As: ≤3.0 ppm
Cd: ≤1.0 ppm
Hg: ≤1.0 ppm
Pb: ≤2.0 ppm

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

odorless

SMILES string

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

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

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

260.6 °F - closed cup

Flash Point(C)

127 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Andrea Toschi et al.
Molecules (Basel, Switzerland), 25(18) (2020-09-24)
Bioactive compounds, such as organic acids (OA) and nature-identical compounds (NIC), can exert a role in the protection of intestinal mucosa functionality due to their biological properties. The aim of this study was to understand the role of 2 OA
Ya-Nan Zhang et al.
Journal of hazardous materials, 358, 216-221 (2018-07-11)
Pharmaceuticals are a group of ubiquitous emerging pollutants, many of which have been shown to undergo efficient photolysis in the environment. Photochemically produced reactive intermediates (PPRIs) sensitized by the pharmaceuticals in sunlit natural waters may induce photodegradation of coexisting compounds.
G D Saraiva et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 137, 1409-1416 (2014-10-14)
This work reports a temperature-dependent vibrational spectroscopic study of the sorbic acid (C6H8O2), as well as the mode assignment at ambient conditions, based on the density functional theory. Temperature-dependent vibrational properties have been performed in polycrystalline sorbic acid through both
A Vermeulen et al.
Food microbiology, 32(2), 389-396 (2012-09-19)
The microbial stability of intermediate moisture foods (IMF) is linked with the possible growth of osmophilic yeast and xerophilic moulds. As most of these products have a long shelf life the assessment of the microbial stability is often an important
Malcolm Stratford et al.
International journal of food microbiology, 161(3), 164-171 (2013-01-22)
Weak-acid preservatives commonly used to prevent fungal spoilage of low pH foods include sorbic and acetic acids. The "classical weak-acid theory" proposes that weak acids inhibit spoilage organisms by diffusion of undissociated acids through the membrane, dissociation within the cell
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