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GERANYL BUTYRATE Structure

GERANYL BUTYRATE

Chemical Properties

Boiling point 151-153 °C18 mm Hg(lit.)
Density  0.896 g/mL at 25 °C(lit.)
vapor pressure  0.664Pa at 25℃
FEMA  2512 | GERANYL BUTYRATE
refractive index  n20/D 1.461(lit.)
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Insoluble in water, Glycerin and Propylene glycol. Soluble in alcohol, perfume and flavor oils and in mineral oil.
Odor Sweet, rather heavy, fruity odor
Odor Type fruity
Water Solubility  712.7μg/L at 25℃
JECFA Number 66
InChI InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
InChIKey ZSBOMYJPSRFZAL-JLHYYAGUSA-N
SMILES C(OC/C=C(\C)/CC/C=C(/C)\C)(=O)CCC
LogP 5.46
CAS DataBase Reference 106-29-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) GERANYL BUTYRATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII 69AVH8L7KL
EPA Substance Registry System Butanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester (106-29-6)

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H335
Precautionary statements P261-P271-P304+P340+P312-P403+P233-P405-P501
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  2
RTECS  ES9990000
Toxicity The acute oral LD50 in rats was reported as 10.6 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The acute dermal LD50 in rabbits was reported as 5 g/kg (Shelanski, 1973).
NFPA 704:
1
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