Allyl hexanoate

Allyl hexanoate

Names
IUPAC name prop-2-enyl hexanoate
Other names Allyl caproate; Allyl n-caproate; 2-Propenyl n-hexanoate; Hexanoic acid, 2-propenyl ester
Identifiers
CAS Registry Number	123-68-2 N=
ChemSpider	29006 Y
EC number	204-642-4
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
Jmol-3D images	Image Image
PubChem	31266
SMILES CCCCCC(OCC=C)=O O=C(OCC=C)CCCCC
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 to 191 °C (374 to 376 °F; 463 to 464 K)[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 (151 °F; 339 K) [1]
Except where noted otherwise, data is given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
N verify (what is: Y/N?)
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