Ethyl Sorbate

Catalog Number	ACM2396841
CAS	2396-84-1
Structure
IUPAC Name	Ethyl (2E,4E)-hexa-2,4-dienoate
Synonyms	Ethyl 2,4-hexadienoate
Molecular Weight	140.18
Molecular Formula	C8H12O2
Canonical SMILES	CCOC(=O)C=CC=CC
InChI	InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
InChI Key	OZZYKXXGCOLLLO-TWTPFVCWSA-N
Boiling Point	82-83 °C/13 mmHg(lit.)
Melting Point	95-98 °C
Flash Point	157 °F
Purity	98%
Density	0.956 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol
Appearance	Oil
Storage	Sealed in dry, room temperature
Complexity	145
Exact Mass	140.083729621
Monoisotopic Mass	140.083729621
Refractive Index	n20/D 1.494(lit.)
Topological Polar Surface Area	26.3 Å²

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