trans-2-Hexenyl butyrate

Catalog Number	ACM53398837-1
CAS	53398-83-7
Structure
IUPAC Name	[(E)-Hex-2-enyl] butanoate
Synonyms	Butyric acid trans-2-hexenyl ester
Molecular Weight	170.25
Molecular Formula	C₁₀H₁₈O₂
Canonical SMILES	CCCC=CCOC(=O)CCC
InChI	InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChI Key	PCGACKLJNBBQGM-VOTSOKGWSA-N
Boiling Point	190 °C
Flash Point	186 °F
Purity	95%+
Density	0.885 g/mL at 25 °C(lit.)
Solubility	Soluble in fats; Insoluble in water
Application	trans-2-Hexenyl butyrate is a sex pheromone.
Exact Mass	170.130679813
Monoisotopic Mass	170.130679813
Odor	Fruity, green aroma
References	Yang, C. Y., et al.: J. Chem. Ecol., 40, 244 (2014); Yang, C. Y., et al.: PLoS One, 10, 0127051 (2015)
Refractive Index	n20/D 1.4325(lit.)
Topological Polar Surface Area	26.3 Å²

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