prenyl formate
 
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IUPAC name :3-methylbut-2-enyl formate
InChI :InChI=1/C6H10O2/c1-6(2)3-4-8-5-7/h3,5H,4H2,1-2H3
InChIKey :ZCROFVOAWLRGFY-UHFFFAOYAG
SMILES :CC(=CCOC=O)C
(EINECS) number :270-906-0
cas number :68480-28-4
fema number :4205
jecfa number :1826
fl. number :09.694
molar refractivity :31.67 ± 0.3 cm3
parachor :282.8 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :26.4 ± 3.0 dyne/cm
density :0.915 ± 0.06 g/cm3
polarizability :12.55 ± 0.5 10-24cm3
xlogp : 1.20
molecular weight : 114.1424000
formula :C6 H10 O2
 
 
export tariff code :2915.13.0000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :PRENYL FORMATE
 ≥97.0%, Kosher
 
 

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fruity rum

properties :
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92000 - 0.94000 @ 25.00 °C.
pounds per gallon - calc. : 7.655 to 7.822
refractive index :1.41000 - 1.43000 @ 20.00 °C.
boiling point : 34.00 - 35.00 °C. @ 15.00 mm Hg
boiling point : 139.00 - 140.00 °C. @ 760.00 mm Hg
logp : 1.67

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 135.00  °F.  TCC  ( 57.22 °C. )
  
recommendation for prenyl formate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 22.
4205 average usual ppmaverage maximum ppm
baked goods : 10.00000100.00000
beverages(nonalcoholic) : 0.300003.00000
beverages(alcoholic) : 1.5000015.00000
breakfast cereal : 0.300001.50000
cheese : --
chewing gum : 15.00000100.00000
condiments / relishes : --
confectionery froastings : 1.5000010.00000
egg products : 1.5000010.00000
fats / oils : 1.5000010.00000
fish products : --
frozen dairy : 6.0000060.00000
fruit ices : 3.0000030.00000
gelatins / puddings : 3.0000030.00000
granulated sugar : --
gravies : --
hard candy : 5.0000050.00000
imitation dairy : --
instant coffee / tea : 0.600006.00000
jams / jellies : 3.0000030.00000
meat products : --
milk products : 0.6000060.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 1.5000015.00000
snack foods : --
soft candy : 3.0000030.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety links :
(EINECS) number :270-906-0
chemidplus :068480284
epa-srs :68480-28-4
  

other :
 

references :
jecfa number :1826
fl. number :09.694
pubchem :687634
  
synonyms :
3-methyl-2-buten-1-yl formate
3-methyl-2-butenyl formate
 prenyl formate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl phenyl acetate
 cyclohexanone diethyl acetal
 ethyl acetate
 ethyl hydrocinnamate
 ethyl propionate
 ethyl pyruvate
 fruity carboxylate
1-hexen-3-yl acetate
 methyl propionate
2-phenyl propyl butyrate
(odor and/or flavor) used in :
 fruit
 rum
natural occurrence in :
not found in nature



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