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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:
Molecular Weight:
112.13
Flavis number:
8.085
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
3921
NACRES:
NA.21
EC Number:
203-768-7
MDL number:
Beilstein/REAXYS Number:
1098547
Organoleptic:
odorless
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
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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



pictograms

Exclamation mark

signalword

Warning

hcodes

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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