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W392103

Sigma-Aldrich

2,4-Hexadienoic acid

≥99%, FCC

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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
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

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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.
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
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
Alfredo Montaño et al.
Food microbiology, 34(1), 7-11 (2013-03-19)
The aim of this research was to ascertain the lactic acid bacteria responsible for the degradation of ascorbic acid and/or potassium sorbate, isolated from packed green olives where these additives had diminished. A total of 14 isolates were recovered from
Takashi Ohtsuki et al.
Analytica chimica acta, 734, 54-61 (2012-06-19)
An analytical method using solvent extraction and quantitative proton nuclear magnetic resonance (qHNMR) spectroscopy was applied and validated for the absolute quantification of sorbic acid (SA) in processed foods. The proposed method showed good linearity. The recoveries for samples spiked
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