Allyl hexanoate

Allyl hexanoate
IUPAC name prop-2-enyl hexanoate
Other names Allyl caproate; Allyl n-caproate; 2-Propenyl n-hexanoate; Hexanoic acid, 2-propenyl ester
Identifiers
CAS number	123-68-2 Y=
PubChem	31266
ChemSpider	29006 Y
EC number	204-642-4
Jmol-3D images	Image 1 Image 2
SMILES CCCCCC(OCC=C)=O O=C(OCC=C)CCCCC
InChI InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 Y Key: RCSBILYQLVXLJG-UHFFFAOYSA-N Y InChI=1/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 Key: RCSBILYQLVXLJG-UHFFFAOYAX
Properties
Molecular formula	C9H16O2
Molar mass	156.22 g mol−1
Appearance	Colorless to pale yellow clear liquid[1]
Density	0.887 g/mL[2] 0.884-0.892 g/mL[1]
Boiling point	190-191 °C[1] 75-76 °C (15 mmHg)[2]
Solubility in water	Insoluble[1]
Hazards
R-phrases	R22 R24 R51/53
S-phrases	(S2) S26 S36/37/39 S45 S61
Flash point	66 °C[1]
Y (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Allyl hexanoate is a colorless to pale yellow clear liquid.

Uses

Allyl hexanoate is employed principally in the formulation of pineapple flavors but it can also be used for peach and apricot essences and for apple blossom, peach blossom, and wisteria perfume compositions.^[1] Allyl caproate is an ingredient of some lipstick perfumes. It also adds a sweet juicy note to citrus flavors. It is also used as an additive to cigarettes.

References