Allyl hexanoate CAS#123-68-2

Boiling point 

75-76 °C/15 mmHg (lit.)

density 

0.887 g/mL at 25 °C (lit.)

vapor pressure 

2.69hPa at 25℃

refractive index 

n20/D 1.424(lit.)

FEMA 

2032 | ALLYL HEXANOATE

Fp 

151 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

0.06g/l

form 

liquid

color 

Colorless to Almost colorless

Odor

at 10.00 % in dipropylene glycol. sweet fruity pineapple tropical ethereal rum arrack fatty cognac

Odor Type

fruity

biological source

synthetic

Water Solubility 

PRACTICALLY INSOLUBLE

JECFA Number

3

Major Application

flavors and fragrances

Cosmetics Ingredients Functions

FRAGRANCE
PERFUMING
SKIN CONDITIONING - EMOLLIENT
ASTRINGENT

InChI

1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3

InChIKey

RCSBILYQLVXLJG-UHFFFAOYSA-N

SMILES

CCCCCC(=O)OCC=C

LogP

3.191 at 20℃

CAS DataBase Reference

123-68-2(CAS DataBase Reference)

NIST Chemistry Reference

Hexanoic acid, 2-propenyl ester(123-68-2)

EPA Substance Registry System

Allyl hexanoate (123-68-2)

Safety Information

Risk Statements 

22-24-51/53-R51/53-R24-R22

Safety Statements 

36/37-45-61-S61-S45-S36/37

RIDADR 

UN 2810 6.1/PG 3

WGK Germany 

2

RTECS 

MO6125000

TSCA 

TSCA listed

HazardClass 

6.1(b)

PackingGroup 

III

HS Code 

29159080

Storage Class

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects

Hazard Classifications

Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Chronic 2

toxicity

The acute oral LD50 in rats was 218 mg/kg and in guinea-pigs 280 mg/kg . The acute dermal LD50 for sample no. 71-20 was reported as 0-3ml/kg in the rabbit