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Merck
CN

W392103

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
Flavis number:
8.085
PubChem Substance ID:
24901937
UNSPSC Code:
12164502
FEMA Number:
3921
NACRES:
NA.21
EC Number:
203-768-7
MDL number:
MFCD00002703
Beilstein/REAXYS Number:
1098547
Organoleptic:
odorless
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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InChI key

WSWCOQWTEOXDQX-MQQKCMAXSA-N

InChI

1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+

SMILES string

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

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

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

260.6 °F - closed cup

flash_point_c

127 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBL0356
MKCJ5816
MKCH0459
MKCF5470
MKBZ8952V

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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
Heidy M W den Besten et al.
Applied and environmental microbiology, 78(23), 8477-8480 (2012-09-25)
Population heterogeneity complicates the predictability of the outgrowth kinetics of individual spores. Flow cytometry sorting and monitoring of the germination and outgrowth of single dormant spores allowed the quantification of acid-induced spore population heterogeneity at pH 5.5 and in the
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