sorbyl isobutyrate
2,4-hexadienyl isobutyrate
 
Notes:
Used as a food additive [EAFUS]
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
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      Product(s):
      223 2,4-HEXADIENYL ISOBUTYRATE ≥98.0%, Kosher
      SDS
      For sweet pineapple, nutty, spicy notes.
      A spicy, cinnamon note for overripe pear, apple, apple pie, pineapple, mango, and guava flavors.
       
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      08-21200 2,4-HEXADIENYL ISOBUTYRATE, Kosher
       
Synonyms   Articles   Notes   Search
hexa-2,4-dienyl 2-methylpropanoate (Click)
CAS Number: 16491-24-0Picture of molecule
ECHA EINECS - REACH Pre-Reg: 240-551-6
Nikkaji Web: J318.214B
XlogP3-AA: 2.70 (est)
Molecular Weight: 168.23592000
Formula: C10 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance 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
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1782  2,4-hexadienyl isobutyrate
FEMA Number: 4134  2,4-hexadienyl isobutyrate
FDA Mainterm: 2,4-HEXADIENYL ISOBUTYRATE
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Physical Properties:
Appearance: yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 80.00 °C. @ 15.00 mm Hg
Vapor Pressure: 0.104000 mm/Hg @ 25.00 °C. (est)
Flash Point: 180.00 °F. TCC ( 82.22 °C. )
logP (o/w): 3.058 (est)
Soluble in:
 alcohol
 water, 93.91 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fresh
Odor Strength: medium
 green  fruity  galbanum  apple  pear  pineapple  
Odor Description:
at 100.00 %. 
green fruity galbanum apple pear pineapple
 cinnamon  
Taste Description:
cinnamon
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Axsyn
For experimental / research use only.
Propanoic acid,2-methyl-, 2,4-hexadien-1-yl ester
Bedoukian Research
2,4-HEXADIENYL ISOBUTYRATE
≥98.0%, Kosher
Odor: A sweet pineapple odor with cinnamon undertones
Use: For sweet pineapple, nutty, spicy notes.
Flavor: green
A spicy, cinnamon note for overripe pear, apple, apple pie, pineapple, mango, and guava flavors.
BOC Sciences
For experimental / research use only.
Propanoic acid 2-methyl-2,4-hexadienyl ester
Parchem
sorbyl isobutyrate
Penta International
2,4-HEXADIENYL ISOBUTYRATE, Kosher
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,4-hexadienyl isobutyrate
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Safety Information:
Preferred SDS: View
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:
oral-rat LD50  5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 339, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 339, 1988.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for sorbyl isobutyrate usage levels up to:
  5.0000 % 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).
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: 1.0000020.00000
snack foods: --
soft candy: 1.0000010.00000
soups: --
sugar substitutes: --
sweet sauces: 1.0000025.00000
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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
EPA Substance Registry Services (TSCA): 16491-24-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 86015
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 hexa-2,4-dienyl 2-methylpropanoate
Chemidplus: 0016491240
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References:
 hexa-2,4-dienyl 2-methylpropanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 16491-24-0
Pubchem (cid): 86015
Pubchem (sid): 135043414
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB32313
FooDB: FDB009561
Export Tariff Code: 2915.60.0000
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-tiglaldehydeFL/FR
animal
para-cresyl isobutyrateFL/FR
 methyl (E)-2-octenoateFL/FR
balsamic
isoamyl benzoateFL/FR
 fir carboxylateFR
citrus
2-heptanolFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
fermented
3-methyl-1-pentanolFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 boronia absoluteFL/FR
 citronellyl propionateFL/FR
gamma-damasconeFR
6,8-dimethyl-2-nonanolFR
(E)-geranyl acetoneFL/FR
 hexyl 2-furoateFL/FR
 lily propanolFR
 papaya isobutyrateFL/FR
fruity
 acetaldehyde dihexyl acetalFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 apple crotonateFR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 geranyl isovalerateFL/FR
 heptanal cyclic ethylene acetalFR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl 3-nonenoateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 nerolidyl isobutyrateFR
 octen-1-yl cyclopentanoneFL/FR
2-pentyl furanFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl heptanoateFL/FR
 rhubarb undecaneFR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical thiazoleFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 butyl 2-methyl butyrateFL/FR
 cognac heptanoneFL/FR
alpha-decalactoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green dioxolaneFR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
2-hexenyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 manzanate (Givaudan)FL/FR
 methyl R-3-acetoxyhexanoate 
2-methyl valeraldehydeFL/FR
(E)-2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 thiogeraniolFL/FR
 violet dienyneFR
herbal
 marigold oil mexicoFL/FR
 tagete oil indiaFL/FR
 tricyclodecyl acetateFR
minty
beta-cyclocitralFL/FR
sulfurous
 buchu mercaptanFL/FR
tropical
 ethyl (Z)-3-hexenoateFL/FR
waxy
9-decenoic acidFL/FR
(E,E)-2,4-dodecadien-1-ol 
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
woody
 verdoxanFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde dihexyl acetalFL/FR
 allyl tiglateFL
 butyl 2-methyl butyrateFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl (Z)-3-hexenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
(E,E)-2,4-heptadien-1-olFL
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
2-hexenalFL
2-hexenal diethyl acetalFL
2-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
(E)-2-methyl-2-octenalFL
2-methyl-2-octenalFL
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
4-phenyl-2-butyl acetateFL/FR
 prenyl hexanoateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
(E)-tiglaldehydeFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
alliaceous
 tropical thiazoleFL/FR
aromatic
para-cresyl isobutyrateFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 cognac heptanoneFL/FR
cooling
 manzanate (Givaudan)FL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
fatty
3-decen-2-oneFL/FR
 ethyl (E)-4-decenoateFL/FR
floral
 citronellyl propionateFL/FR
(E)-geranyl acetoneFL/FR
 papaya isobutyrateFL/FR
fruity
isoamyl benzoateFL/FR
 amyl hexanoateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 boronia absoluteFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl propionateFL
2-heptanolFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl acetateFL/FR
 methyl (E)-2-octenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
isopropyl 2-methyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
 geranyl isovalerateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl 2-furoateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl 2-undecynoateFL
 methyl R-3-acetoxyhexanoate 
2-methyl valeraldehydeFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 marigold oil mexicoFL/FR
 tagete oil indiaFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
minty
 thiogeraniolFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
sour
3-methyl valeric acidFL
sulfurous
 buchu mercaptanFL/FR
waxy
isoamyl butyrateFL/FR
9-decenoic acidFL/FR
 octyl 2-methyl butyrateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
 
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Potential Uses:
 appleFR
 fruit tropical fruit 
 galbanumFL/FR
 greenFR
 herbalFR
 pearFR
 pineappleFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
isobutyric acid 2,4-hexadien-1-yl ester
isobutyric acid, 2,4-hexadienyl ester
 hexa-2,4-dien-1-yl 2-methylpropanoate
 hexa-2,4-dienyl 2-methyl propanoate
 hexa-2,4-dienyl 2-methylpropanoate
 hexa-2,4-dienyl isobutyrate
 hexadien-1-yl isobutyrate
2,4-hexadien-1-yl isobutyrate
2,4-hexadienyl 2-methyl propanoate
2,4-hexadienyl 2-methylpropanoate
2,4-hexadienyl isobutyrate
2-methyl propanoic acid 2,4-hexadienyl ester
2-methylpropanoic acid 2,4-hexadienyl ester
 propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester
 sorbyl isobutyrate
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