Sorbic acid - CAS 110-44-1

Catalog:	BB002628
Product Name:	Sorbic acid
CAS:	110-44-1
Synonyms:	2,4-Hexadienoic acid, (2E,4E)-; (2E,4E)-2,4-Hexadienoic acid; 2,4-Hexadienoic acid, (E,E)-; (E,E)-1,3-Pentadiene-1-carboxylic acid; (E,E)-2,4-Hexadienoic acid; 2,4-Hexadienoic acid; 2E,4E-Hexadienoic acid; E 200; NSC 35405; NSC 49103; NSC 50268; Panosorb; SO 215; Sorbinic acid; Sorbistat; trans,trans-2,4-Hexadienoic acid; trans,trans-Sorbic acid; α-trans-γ-trans-Sorbic acid

Technical Data

Related CAS:	91751-55-2 (Deleted CAS) 1197240-56-4 (Deleted CAS) 2747926-89-0 (Deleted CAS) 22500-92-1 (Alternate CAS) 24634-61-5 (potassium salt)
IUPAC Name:	(2E,4E)-hexa-2,4-dienoic acid
Description:	Sorbic Acid can be used as a food preservative and as an inhibitor of Clostridium Botulinum bacteria in meat products.
Molecular Weight:	112.13
Molecular Formula:	C6H8O2
Canonical SMILES:	CC=CC=CC(=O)O
InChI:	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
Boiling Point:	90-92°C at 35 Torr
Melting Point:	128-135°C
Flash Point:	127°C
Purity:	≥95%
Density:	1.204 g/cm³
Solubility:	Soluble in Acetonitrile (Slightly), Chloroform (Sparingly), Dichloromethane (Slightly), Methanol (Slightly)
Appearance:	White to off-white solid
Storage:	Store at -20°C
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00002703
LogP:	1.20330
Stability:	Stability Material saturated with this acid may ignite spontaneously. Incompatible with strong oxidizing agents. May be light sensitive.
Vapor Pressure:	less than 0.01 mmHg at 68 °F ; 9.8 mmHg at 266 °F

GHS Hazard Statement:	H315 (87.69%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
32179172	20200605	Involvement of tumor necrosis factor-α, interferon gamma-γ, and interleukins 1β, 6, and 10 in immunosuppression due to long-term exposure to five common food preservatives in rats	Gene
30086327	20181201	Biological monitoring of low level exposure to benzene in an oil refinery: Effect of modulating factors	Toxicology letters
26628019	20151001	Investigation of local anesthetic and antimycobacterial activity of Ottonia martiana Miq. (Piperaceae)	Anais da Academia Brasileira de Ciencias
22986205	20121201	Screening of different stress factors and development of growth/no growth models for Zygosaccharomyces rouxii in modified Sabouraud medium, mimicking intermediate moisture foods (IMF)	Food microbiology
23044217	20121109	Application of dispersive solid-phase extraction and ultra-fast liquid chromatography-tandem quadrupole mass spectrometry in food additive residue analysis of red wine	Journal of chromatography. A

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	112.052429494
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.052429494
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3