ALLYL CAPRYLATE Structure

ALLYL CAPRYLATE

Chemical Properties

Melting point -58.7°C (estimate)
Boiling point 87-88 °C6 mm Hg(lit.)
Density  0.881 g/mL at 25 °C(lit.)
FEMA  2037 | ALLYL OCTANOATE
refractive index  n20/D 1.432(lit.)
FLAVIS Number 09.119 | Allyl octanoate
Flash point 203 °F
solubility  Insoluble in water, soluble in alcohol and oils.
Odor Powerful fruity, slightly fatty Banana-Pineapple like odor with a somewhat oily-winey undertone.
biological source synthetic
Odor Type waxy
JECFA Number 5
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3
InChIKey PZGMUSDNQDCNAG-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)OCC=C
LogP 4.18
Substances Added to Food (formerly EAFUS) ALLYL OCTANOATE
FDA 21 CFR 172.515
EWG's Food Scores 1-2
FDA UNII 17ZH17CKME
EPA Substance Registry System Octanoic acid, 2-propenyl ester (4230-97-1)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  RH0365000
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity rat,LD50,oral,570mg/kg (570mg/kg),Food and Cosmetics Toxicology. Vol. 16, Pg. 643, 1978.

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