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Merck
CN

V000912

Sorbic acid

99.0-101.0%

Synonym(s):

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
EC Number:
203-768-7
PubChem Substance ID:
329828271
MDL number:
MFCD00002703
Beilstein/REAXYS Number:
1098547

Key Documents

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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

SMILES string

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

grade

synthesis grade

vapor pressure

0.01 mmHg ( 20 °C)

assay

99.0-101.0%

mp

132-135 °C (lit.)

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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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
DCBD8686
DCBD8493
DCBD8356
DCBD8245
DCBD4755V

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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
G D Khandelwal et al.
Food additives and contaminants, 7(5), 685-694 (1990-09-01)
The conjugated dienoic acid structure of sorbic acid renders it susceptible to nucleophilic attack. Nucleophiles known to react with sorbic acid include sulphite ion and amines. These attack the molecule in position 5 and, in the cse of amines, cyclization
H Giryn et al.
Roczniki Panstwowego Zakladu Higieny, 41(5-6), 217-222 (1990-01-01)
Conditions of simultaneous determination of benzoic and sorbic acid in orange drink and tomato concentrate by gas chromatography method were developed and tested. Preservatives were isolated by extraction of the samples with diethyl ether in acidic media, and then converted
R Walker
Food additives and contaminants, 7(5), 671-676 (1990-09-01)
Sorbic acid and its salts have been subjected to an extensive battery of tests, including acute, short-term and chronic toxicity/carcinogenicity tests, two-generation reproduction and teratogenicity studies. These studies show that sorbic acid and sorbates have a very low level of
B L Wedzicha et al.
Food additives and contaminants, 7(5), 695-709 (1990-09-01)
In common with many other carboxylic acids, sorbic acid shows significant solubility in aqueous and non-aqueous solvents. The presence of a non-aqueous phase (e.g. fat) can markedly affect the concentration of the preservative in the aqueous phase. Solute distribution between
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