(Z)-3-hexen-1-yl (E)-crotonate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :[(Z)-hex-3-enyl] (E)-but-2-enoate
InChI :InChI=1/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+
InChIKey :KITGYVIOYOCIIE-QNMAEOQABX
SMILES :CC\C=C/CCOC(=O)\C=C\C
(EINECS) number :265-746-3
cas number :65405-80-3
fema number :3982
coe number :9566
jecfa number :1276
fl. number :09.856
molar refractivity :50.26 ± 0.3 cm3
parachor :429.1 ± 4.0 cm3
index of refraction :1.457 ± 0.02
surface tension :29.3 ± 3.0 dyne/cm
density :0.912 ± 0.06 g/cm3
polarizability :19.92 ± 0.5 10-24cm3
xlogp : 3.00
molecular weight : 168.2328400
formula :C10 H16 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Cargill - Alfrebro :cis-3-HEXENYL CROTONATE
 natural, Kosher
 
Fontarome Chemical :C3-HEXENYL CROTONATE
 
Sigma-Aldrich-SAFC :cis-3-Hexenyl crotonate
 
 

organoleptics :
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
green vegetable

properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89400 - 0.90400 @ 25.00 °C.
pounds per gallon - calc. : 7.439 to 7.522
refractive index :1.42700 - 1.43700 @ 20.00 °C.
boiling point : 107.00 °C. @ 25.00 mm Hg
boiling point : 218.00 - 219.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 3.65

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 202.00  °F.  TCC  ( 94.44 °C. )
  
recommendation for (Z)-3-hexen-1-yl (E)-crotonate usage levels up to :
  2.0000 % 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 : 20.
3982 average usual ppmaverage maximum ppm
baked goods : 2.000005.00000
beverages(nonalcoholic) : 2.000004.00000
beverages(alcoholic) : 0.500003.00000
breakfast cereal : 0.500005.00000
cheese : --
chewing gum : 5.00000100.00000
condiments / relishes : --
confectionery froastings : 20.0000050.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 2.000005.00000
fruit ices : 1.000005.00000
gelatins / puddings : 2.000005.00000
granulated sugar : 0.200001.00000
gravies : 0.500003.00000
hard candy : 20.0000050.00000
imitation dairy : 2.000005.00000
instant coffee / tea : --
jams / jellies : 2.0000010.00000
meat products : 0.500008.00000
milk products : 0.500002.00000
nut products : 0.500002.00000
other grains : --
poultry : --
processed fruits : 0.500002.00000
processed vegetables : 0.500002.00000
reconstituted vegetables : --
seasonings / flavors : 0.200001.00000
snack foods : --
soft candy : 5.0000010.00000
soups : 0.500002.00000
sugar substitutes : 0.500002.00000
sweet sauces : 0.500003.00000

safety links :
(EINECS) number :265-746-3
chemidplus :65405-80-3
epa-srs :65405-80-3
  

other :
 

references :
jecfa number :1276
fl. number :09.856
pubchem :40723210
  
synonyms :
(2E)-2-butenoic acid (3Z)-3-hexenyl ester
(Z)-3-hexen-1-yl (E)-2-butenoate
cis-3-hexen-1-yl (E)-2-butenoate
(Z)-3-hexen-1-yl (E)-crotonate
cis-3-hexen-1-yl (E)-crotonate
(Z)-3-hexenyl (E)-2-butenoate
cis-3-hexenyl (E)-2-butenoate
(Z)-3-hexenyl (E)-crotonate
cis-3-hexenyl (E)-crotonate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 dihydroxyacetophenone
2-ethyl-4,5-dimethyl oxazole
 grapefruit menthane
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
(E)-4-hexen-1-al
4-hexen-1-ol
 methyl benzyl disulfide
2-methyl thiazole
4-(methyl thio) butanol
3-(methyl thio) hexanol
3-(5-methyl-2-furyl) butanal
(Z)-6-nonen-1-ol
2,4-octadien-1-al
2-octen-1-ol
1-penten-3-ol
2-propyl pyrazine
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
3-tetrahydrothiophenone
 tropical thiazole
(odor and/or flavor) used in :
 green
 herbal
 hyacinth jacinthe
 hydrangea
 narcissus narcisse
 sweet pea pois de senteur
 vegetable
natural occurrence in :
mango
passion fruit
wine



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