Sorbyl acetate

Catalog Number	ACM1516172-1
CAS	1516-17-2
Structure
IUPAC Name	[(2E,4E)-hexa-2,4-dienyl] acetate
Synonyms	Sorbyl acetate;1516-17-2;trans,trans-2,4-Hexadienyl acetate;2,4-Hexadienyl acetate;Hexa-2,4-dienyl acetate;2,4-Hexadien-1-ol, acetate;UNII-5416SJ1T8T;Acetic acid, 2,4-hexadien-1-ol ester;ACETIC ACID, 2,4-HEXADIENYL ESTER;2,4-Hexadien-1-ol, 1-acetate;2,4-Hexadienylester kyseliny octove;EINECS 216-163-8;57006-69-6;2E,4E-Hexadienyl acetate;5416SJ1T8T;MFCD00036521;trans,trans-Hexa-2,4-dienyl acetate;(2E,4E)-hexa-2,4-dien-1-yl acetate;Hexa-2,4-dien-1-yl acetate;Hexa-2,4-dienyl A;[(2E,4E)-hexa-2,4-dienyl] acetate;FEMA no. 4132;AI3-32962;2,4-Hexadienylester kyseliny octove [Czech];(E,E)-2,4-Hexadienyl acetate;PubChem13748;2,4-hexadien-1-ol acetate;SCHEMBL1302474;SCHEMBL1302475;SCHEMBL15978101;(2E,4E)-2,4-Hexadienyl acetate;ZINC2039490;(2E,4E)-hexa-2,4-dienyl acetate;LMFA07010180;AKOS025294573;(2E,4E)-2,4-Hexadienyl acetate #;[(2E,4E)-hexa-2,4-dienyl] ethanoate;trans,trans-2,4-Hexadienyl acetate, 97%;Acetic acid (2E,4E)-2,4-hexadienyl ester;acetic acid [(2E,4E)-hexa-2,4-dienyl] ester;A809197;J-500788;Q27261148
Molecular Weight	140.18g/mol
Molecular Formula	C8H12O2
Canonical SMILES	CC=CC=CCOC(=O)C
InChI	InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
InChI Key	PXVKYPFROMBALG-VNKDHWASSA-N
Density	0.928-0.932
Solubility	Practically insoluble or insoluble in water;Soluble (in ethanol)
Complexity	145
Covalently-Bonded Unit Count	1
EC Number	216-163-8
Exact Mass	140.083729621g/mol
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Monoisotopic Mass	140.083729621g/mol
Refractive Index	1.470-1.476
Rotatable Bond Count	4
Topological Polar Surface Area	26.3Å²
UNII	5416SJ1T8T
X Log P3	1.6

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