Sorbic chloride - CAS 2614-88-2
Catalog: |
BB019149 |
Product Name: |
Sorbic chloride |
CAS: |
2614-88-2 |
Synonyms: |
(2E,4E)-hexa-2,4-dienoyl chloride |
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 |
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