sorbyl propionate
2,4-hexadienyl propionate
 
Notes:
Used as a food additive [EAFUS]
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      Product(s):
      16491-25-1 2,4-Hexadien-1-ol propanoate
       
Synonyms   Articles   Notes   Search
CAS Number: 16491-25-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 240-552-1
XlogP3-AA: 2.10 (est)
Molecular Weight: 154.20898000
Formula: C9 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1781  2,4-hexadienyl propionate
FEMA Number: 4131 2,4-hexadienyl propionate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):16491-25-1 ; 2,4-HEXADIENYL PROPIONATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 75.00 °C. @ 15.00 mm Hg
Vapor Pressure: 0.223000 mmHg @ 25.00 °C. (est)
Flash Point: 175.00 °F. TCC ( 79.44 °C. )
logP (o/w): 2.704 (est)
Soluble in:
 alcohol
 water, 247.5 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl propionate
allyl thiopropionate
amyl propionate
isoamyl propionate
para-anisyl propionate
benzyl propionate
bornyl propionate
isobornyl propionate
butyl propionate
isobutyl propionate
tert-butyl propionate
carvyl propionate
cinnamyl propionate
citronellyl propionate
para-cresyl propionate
cyclohexyl propionate
cyclotene propionate
decyl propionate
dewy propionate
dicyclopentadiene propionate
dimethyl benzyl carbinyl propionate
dodecyl propionate
ethyl propionate
eugenyl propionate
furfuryl propionate
furfuryl thiopropionate
geranyl propionate
guaiacyl propionate
heptyl propionate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
hexyl propionate
linalyl propionate
maltyl propionate
menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
methyl propionate
nerolidyl propionate
neryl propionate
nonisyl propionate
nonyl propionate
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
octyl propionate
phenethyl propionate
phenoxyethyl propionate
3-phenyl propyl propionate
propyl propionate
isopropyl propionate
rhodinyl propionate
styralyl propionate
sulfuryl propionate
terpinyl propionate
tetrahydrofurfuryl propionate
tricyclodecenyl propionate
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 sweet  fruity  tropical  pineapple  winey  
Odor Description:
at 100.00 %. 
sweet fruity tropical pineapple wine
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
2,4-HEXADIENYL PROPIONATE ≥98.0%, Kosher
Odor Description: A sweet, fruity, pineapple, wine-like odor
Taste Description: fruity
Can be added for freshness to apple, pineapple and grape flavors.
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
2,4-Hexadien-1-ol,1-propanoate
BOC Sciences
For experimental / research use only.
2,4-Hexadien-1-ol propanoate
Parchem
sorbyl propionate
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Safety Information:
European information :
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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
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 Flavor Ingredient Library
publication number: 22
Click here to view publication 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
Synonyms   Articles   Notes   Search   Top
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 16491-25-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 86016
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 hexa-2,4-dienyl propanoate
Chemidplus: 0016491251
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References:
 hexa-2,4-dienyl propanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 86016
Pubchem (sid): 135043415
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32314
FooDB: FDB009562
Export Tariff Code: 2915.50.3000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
animal
 methyl (E)-2-octenoateFL/FR
balsamic
 ethyl alpha-acetyl cinnamateFL/FR
isopropyl cinnamateFL/FR
caramellic
 strawberry furanone acetateFL/FR
chemical
 propyl propionateFL/FR
ethereal
isopropyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 allyl octanoateFL/FR
 methyl 2-hexenoateFL/FR
floral
para-anisyl butyrateFL/FR
black currant bud concreteFL/FR
alpha-iononeFL/FR
 phenethyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rose butanoateFL/FR
 styralyl isobutyrateFL/FR
fruity
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl sorbateFL/FR
 amyl propionateFL/FR
 benzyl ethyl etherFL/FR
isobutyl 2-butenoateFL/FR
 butyl butyrateFL/FR
isobutyl butyrateFL/FR
isobutyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
 cyclohexyl hexanoateFL/FR
 diethyl laevo-tartrateFL/FR
 ethyl (Z)-4-heptenoateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
(E,E)-ethyl sorbateFL/FR
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 heptyl butyrateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
 neocaspireneFL/FR
 pineapple hydroxyhexanoateFL/FR
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
 sorbyl butyrateFL/FR
 strawberry furanone butyrateFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl hexanoateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 barosma betulina leaf oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 viridiflorolFL/FR
 buchu mercaptanFL/FR
 ethyl methyl mercaptopropionateFL/FR
 lychee mercaptan acetateFL/FR
 passiflora acetateFL/FR
S-tropical 2-thiobutyrateFL/FR
4-tropical oxathianeFL/FR
tropical
cis-galbanum oxathianeFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
3-nonen-4-olideFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 tropical 3-thiobutyrateFL/FR
waxy
 ethyl octanoateFL/FR
winey
 butyl angelateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl sorbateFL/FR
isoamyl 3-methyl thiopropionateFL
 amyl propionateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 benzyl ethyl etherFL/FR
 butyl angelateFL/FR
 cyclohexyl hexanoateFL/FR
 diethyl laevo-tartrateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
 ethyl 2-(methyl thio) acetateFL
 ethyl 3-methyl valerateFL/FR
 ethyl 3-octenoateFL
 ethyl aconitateFL
 ethyl alpha-acetyl cinnamateFL/FR
 ethyl cyclohexane propionateFL/FR
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-(methyl thio) acetateFL
 methyl 2-hexenoateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 neocaspireneFL/FR
3-nonen-4-olideFL/FR
S-prenyl thioisobutyrateFL
S-prenyl thioisovalerateFL
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
 styralyl isobutyrateFL/FR
S-tropical 2-thiobutyrateFL/FR
 viridiflorolFL/FR
 allyl thiohexanoateFL
anisic
para-anisyl butyrateFL/FR
balsamic
isopropyl cinnamateFL/FR
caramellic
 strawberry furanone acetateFL/FR
cheesy
 methyl ketonesFL
creamy
 triacetinFL
fatty
 allyl octanoateFL/FR
floral
alpha-iononeFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
isobutyl butyrateFL/FR
 butyl butyrateFL/FR
isobutyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
black currant bud concreteFL/FR
 ethyl (Z)-4-heptenoateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
(E,E)-ethyl sorbateFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hexyl hexanoateFL/FR
3-mercaptohexyl hexanoateFL
 methyl (E)-2-octenoateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
(methyl thio) methyl hexanoateFL
 passion fruit distillatesFL
 pineapple hydroxyhexanoateFL/FR
isopropyl formateFL/FR
 rose butanoateFL/FR
 sorbyl butyrateFL/FR
 strawberry furanone butyrateFL/FR
4-tropical oxathianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
isobutyl 2-butenoateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
cis-galbanum oxathianeFL/FR
 heptanal dimethyl acetalFL/FR
 heptyl butyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 barosma betulina leaf oilFL/FR
 buchu oil fractionsFL
honey
 phenethyl acetateFL/FR
juicy
 lychee mercaptan acetateFL/FR
sulfurous
 buchu mercaptanFL/FR
 ethyl methyl mercaptopropionateFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl 4-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
 anacardium occidentale fruit pureeFL
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 propyl propionateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
 ethyl octanoateFL/FR
 
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Potential Uses:
 fruitFR
 pineappleFR
 wineFR
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Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
 hexa-2,4-dien-1-yl propionate
 hexa-2,4-dienyl propanoate
 hexa-2,4-dienyl propionate
2,4-hexadien-1-ol propionate
2,4-hexadien-1-ol, propanoate
2,4-hexadien-1-yl propanoate
2,4-hexadien-1-yl propionate
2,4-hexadienol monopropionate
2,4-hexadienyl propionate
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