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cis-3-Hexenyl propionate Structure

cis-3-Hexenyl propionate

Chemical Properties

Melting point -57.45°C (estimate)
Boiling point 83 °C/17 mmHg(lit.)
Density  0.887 g/mL at 25 °C(lit.)
FEMA  3933 | CIS-3-HEXENYL PROPIONATE
refractive index  n20/D 1.43(lit.)
Flash point 66 °C
storage temp.  Inert atmosphere,Room Temperature
Odor at 100.00 %. green fresh fruity apple pear vegetable melon banana peach
Appearance Colorless to light yellow Liquid
Odor Type green
biological source synthetic
JECFA Number 1274
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKey LGTLDEUQCOJGFP-WAYWQWQTSA-N
SMILES [H]\C(CC)=C(/[H])CCOC(=O)CC
LogP 2.95
CAS DataBase Reference 33467-74-2(CAS DataBase Reference)
NIST Chemistry Reference 3-Hexen-1-ol, propanoate, (z)-(33467-74-2)
EPA Substance Registry System 3-Hexen-1-ol, propanoate, (3Z)- (33467-74-2)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  2
RTECS  MP8645100
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 805, 1979.

Usage And Synthesis

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