Common Name(3z)-hex-3-en-1-yl acetate
Descriptioncis-3-Hexenyl acetate, also known as (Z)-3-hexenol acetic acid or acetate(3Z)-3-hexen-1-ol, is an acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol. It has a role as a metabolite. It is an acetate ester and an olefinic compound. It derives from a (Z)-hex-3-en-1-ol and an acetic acid. It belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). cis-3-Hexenyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. cis-3-Hexenyl acetate is a sweet, apple, and banana tasting compound. cis-3-Hexenyl acetate has been detected, but not quantified, in several different foods, such as tamarinds, sunburst squash (pattypan squash), carobs, pepper (Capsicum baccatum), and swedes.
Structure
Molecular FormulaC8H14O2
Average Mass142.19560
Monoisotopic Mass142.09938
IUPAC Name(3Z)-hex-3-en-1-yl acetate
Traditional Name(z)-3-hexenyl acetate
CAS Registry Number3681-71-8
SMILESCC/C=C\CCOC(C)=O
InChI IdentifierInChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChI KeyNPFVOOAXDOBMCE-PLNGDYQASA-N
CHEBI IDCHEBI:61316
HMDB IDHMDB0040215
StateNot Available
Water Solubility9.79e-01 g/l
logP2.47
logS-2.16
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)-6.99
Hydrogen Acceptor Count1
Hydrogen Donor Count0
Polar Surface Area26.3 Ų
Rotatable Bond Count5
Physiological Charge0
Formal Charge0
Refractivity41.61 m³·mol⁻¹
Polarizability16.44

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