4230-97-1

Name ALLYL CAPRYLATE
CAS 4230-97-1
EINECS(EC#) 224-184-9
Molecular Formula C11H20O2
MDL Number MFCD00038343
Molecular Weight 184.28
MOL File 4230-97-1.mol
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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.)
Fp  203 °F
solubility  Insoluble in water, soluble in alcohol and oils.
Odor at 100.00 %. waxy fruity green tropical pineapple watercress metallic fatty soapy
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
Uses
Allyl Caprylate is a synthetic flavoring agent that is a colorless to light yellow liquid and has a fruity odor. It is alkali and mineral acid unstable and should be stored in glass, tin, or resin-lined containers. It is used to give flavors a fruity note and has application in dessert gels, puddings, beverages, and candy at 3–25 ppm.
EPA Substance Registry System Octanoic acid, 2-propenyl ester (4230-97-1)
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Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
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
Safety Profile
Moderately toxic by ingestion. A skin irritant. See also ALLYL COMPOUNDS and ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
Toxicity
rat,LD50,oral,570mg/kg (570mg/kg),Food and Cosmetics Toxicology. Vol. 16, Pg. 643, 1978.

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