GERANYL ISOVALERATE Structure

GERANYL ISOVALERATE

Chemical Properties

Boiling point 279 °C(lit.)
Density  0.89 g/mL at 25 °C(lit.)
FEMA  2518 | GERANYL ISOVALERATE
refractive index  n20/D 1.458(lit.)
FLAVIS Number 09.453 | Geranyl isovalerate
Flash point 113 °C
storage temp.  Store at room temperature
solubility  Insoluble in water, soluble in alcohol and oils
form  oily liquid
color  A colourless oily liquid.
Odor at 100.00 %. green fruity apple blueberry pineapple
Odor Type fruity
biological source synthetic
JECFA Number 75
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
InChIKey SOUKTGNMIRUIQN-NTEUORMPSA-N
SMILES CC(C)CC(=O)OC\C=C(/C)CC\C=C(\C)C
LogP 5.47
CAS DataBase Reference 109-20-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) GERANYL ISOVALERATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII OPO8694RK3
EPA Substance Registry System Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester (109-20-6)
UNSPSC Code 12164502
NACRES NA.21
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Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
WGK Germany  2
RTECS  RG5927700
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Toxicity Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1975).

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