Sorbic chloride - CAS 2614-88-2

Name: Sorbic chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	(2E,4E)-hexa-2,4-dienoyl chloride
Description:	Sorbic chloride (CAS# 2614-88-2) is a chloride analog of Sorbic Acid (S676890). Sorbic Acid is a naturally occurring organic compound first isolated from unripe berries. Sorbic acid has been used as a food preservative and as an inhibitor of Clostridium Botulinum bacteria in meat products in order to reduce the amount of nitrites which produce carcinogenic nitroamines.
Molecular Weight:	130.57
Molecular Formula:	C6H7ClO
Canonical SMILES:	CC=CC=CC(=O)Cl
InChI:	InChI=1S/C6H7ClO/c1-2-3-4-5-6(7)8/h2-5H,1H3/b3-2+,5-4+
InChI Key:	GRTWTVFDPBKQNU-MQQKCMAXSA-N
Appearance:	Yellow clear
MDL:	MFCD00045227
LogP:	1.88410

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

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Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	130.0185425
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	130.0185425
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3