sorbyl propionate
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IUPAC name :hexa-2,4-dienyl propanoate
InChI :InChI=1/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h3,5-7H,4,8H2,1-2H3
InChIKey :ZVBREIRNEOXCKQ-UHFFFAOYAO
SMILES :CCC(=O)OCC=CC=CC
cas number :16491-25-1
(EINECS) number :240-552-1
fema number :4131
jecfa number :1781
molar refractivity :45.63 ± 0.3 cm3
parachor :389.3 ± 4.0 cm3
index of refraction :1.456 ± 0.02
surface tension :28.9 ± 3.0 dyne/cm
density :0.918 ± 0.06 g/cm3
polarizability :18.09 ± 0.5 10-24cm3
XlogP : 2.30
molecular weight : 154.2062600
formula :C9 H14 O2
NMR Predictor :Predict
 
 
export tariff code :2915.50.3000
fda reg :unspecified

Suppliers :
Nanjing :2,4-hexadienyl propionate

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
sweet fruity pineapple wine

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91500 to 0.92500 @ 25.00 °C.
pounds per gallon - calc. : 7.614 to 7.697
refractive index :1.43600 to 1.47600 @ 20.00 °C.
boiling point : 75.00 °C. @ 15.00 mm Hg
flash point : 175.00  °F.  TCC  ( 79.44 °C. )
logP (o/w) : 2.44

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for sorbyl propionate usage levels up to :
 not for fragrance use.
 
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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : 0.5000010.00000
beverages(nonalcoholic) : 2.0000020.00000
beverages(alcoholic) : 2.0000020.00000
breakfast cereal : 0.5000010.00000
cheese : --
chewing gum : 1.0000020.00000
condiments / relishes : --
confectionery froastings : 5.0000025.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 1.0000020.00000
fruit ices : 1.0000020.00000
gelatins / puddings : 5.0000025.00000
granulated sugar : --
gravies : --
hard candy : 1.0000010.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : 5.0000025.00000
meat products : --
milk products : 5.0000025.00000
nut products : --
other grains : --
poultry : --
processed fruits : 5.0000025.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : 1.0000010.00000
soft candy : 1.0000010.00000
soups : --
sugar substitutes : --
sweet sauces : 1.0000025.00000

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 hexa-2,4-dienyl propanoate
(EINECS) number :240-552-1
chemidplus :016491251
EPA Substance Registry Services :16491-25-1

references :
 hexa-2,4-dienyl propanoate
jecfa number :1781
pubchem :662880

other :
synonyms :
 hexa-2,4-dienyl propanoate
 hexa-2,4-dienyl propionate
2,4-hexadien-1-ol propionate
2,4-hexadien-1-yl propionate
2,4-hexadienol monopropionate
2,4-hexadienyl propionate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl 10-undecenoate
 allyl 3,5,5-trimethyl hexanoate
 allyl cinnamate
 allyl cyclohexyl butyrate
 allyl cyclohexyl propionate
 allyl heptanoate
 allyl hexanoate
 allyl octanoate
 allyl sorbate
isoamyl 3-methyl thiopropionate
 amyl propionate
2-amyl-5 or 6-keto-1,4-dioxane
 benzyl ethyl ether
isobutyl 2-butenoate
 butyl angelate
 butyl butyrate
isobutyl butyrate
isobutyl hexanoate
isobutyl isobutyrate
 butyl isovalerate
 butyl valerate
 cinnamyl isobutyrate
 cyclohexyl hexanoate
 diethyl 1-malate
 diethyl laevo-tartrate
 ethyl (Z)-4-octenoate
 ethyl 3-(2-furyl) propanoate
 ethyl 3-hexenoate
 ethyl 3-methyl valerate
 ethyl aconitate
 ethyl cyclohexane propionate
 ethyl heptanoate
 ethyl hexanoate
 ethyl methyl mercaptopropionate
 ethyl octanoate
 farnesyl acetone
 galbanum ketone
 galbanum oxyacetate
 geranyl acetoacetate
3-hexen-1-yl 2-methyl butyrate
 methyl (Z)-4-octenoate
 methyl 2-hexenoate
 methyl 4-(methyl thio) butyrate
 methyl hexanoate
 methyl isovalerate
 methyl octenoate
 pineapple heptadienone 10%
 pineapple hydroxyhexanoate
isopropyl hexanoate
isopropyl isobutyrate
isopropyl isovalerate
 propyl propionate
 sorbyl butyrate

(odor and/or flavor) used in :
 fruit
 pineapple
 wine

natural occurrence in :
not found in nature



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