(E)-2-hexen-1-yl isovalerate
2-trans-isohexenyl valerate
 
Notes:
Flavouring ingredient
  • 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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      US Voice: 1-203-830-4000
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      Product(s):
      145 trans-2-HEXEN-1-YL ISOVALERATE
       
  • 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.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
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      Product(s):
      08-33850 trans-2-HEXENYL ISOVALERATE, Kosher
       
Synonyms   Articles   Notes   Search
[(E)-hex-2-enyl] 3-methylbutanoate (Click)
CAS Number: 68698-59-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 272-088-0
FDA UNII: 8J63B79Z9Z
Nikkaji Web: J183.055D
MDL: MFCD00036544
XlogP3-AA: 3.20 (est)
Molecular Weight: 184.27880000
Formula: C11 H20 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
Pubchem Patents: Search
JECFA Food Flavoring: 1377  trans-2-hexenyl isovalerate
Flavis Number: 09.399 (Old)
FEMA Number: 3930  trans-2-hexenyl isovalerate
FDA Mainterm: (E)-2-HEXENYL ISOVALERATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.87500 to 0.88500 @  25.00 °C.
Pounds per Gallon - (est).: 7.281 to  7.364
Refractive Index: 1.42500 to 1.43500 @  20.00 °C.
Boiling Point: 105.00 °C. @ 20.00 mm Hg
Vapor Pressure: 0.062000 mm/Hg @ 25.00 °C. (est)
Flash Point: 180.00 °F. TCC ( 82.22 °C. )
logP (o/w): 3.990 (est)
Soluble in:
 alcohol
 water, 19.61 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 green  waxy  apple  pear  banana  grape  
Odor Description:
at 10.00 % in dipropylene glycol. 
green waxy apple pear banana grape
 green  fresh  waxy  apple  pear  banana  cortex  fusel  grape  vegetable  
Odor Description:
at 1.00 %.  
Green, fresh waxy apple, pear and banana-like with nuances of viney fusel grape and vegetables
Mosciano, Gerard P&F 25, No. 5, 72, (2000)
 green  apple  fruity  oily  waxy  fruity  
Taste Description:
at 1.00 - 5.00 ppm. 
Green apple, fruity with an oily waxy nuance and a lingering fruity aftertaste
Mosciano, Gerard P&F 25, No. 5, 72, (2000)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Bedoukian Research
trans-2-HEXEN-1-YL ISOVALERATE
Parchem
(E)-2-hexen-1-yl isovalerate
Penta International
trans-2-HEXENYL ISOVALERATE, Kosher
TCI AMERICA
For experimental / research use only.
trans-2-Hexenyl Isovalerate >90.0%(GC)
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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:
oral-rat LD50  > 5000 mg/kg
Mosciano, Gerard P&F 25, No. 5, 72, (2000)

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Mosciano, Gerard P&F 25, No. 5, 72, (2000)

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (E)-2-hexen-1-yl isovalerate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (μg/capita/day)
Structure Class: I
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: 19
Click here to view publication 19
 average usual ppmaverage maximum ppm
baked goods: 7.0000011.00000
beverages(nonalcoholic): 2.500004.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 4.000007.00000
fruit ices: --
gelatins / puddings: 5.000007.00000
granulated sugar: --
gravies: --
hard candy: 8.000009.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 6.000009.00000
soups: --
sugar substitutes: --
sweet sauces: --
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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
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 68698-59-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5352460
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 [(E)-hex-2-enyl] 3-methylbutanoate
Chemidplus: 0068698599
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References:
 [(E)-hex-2-enyl] 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 68698-59-9
Pubchem (cid): 5352460
Pubchem (sid): 135067449
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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
HMDB (The Human Metabolome Database): HMDB38274
FooDB: FDB017572
Export Tariff Code: 2915.90.5050
VCF-Online: VCF Volatile Compounds in Food
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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
aldehydic
 lily pentanalFR
2-methyl undecanal dimethyl acetalFR
balsamic
isoamyl benzoateFL/FR
citrus
(E)-2-tetradecenalFL/FR
creamy
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
fatty
 allyl octanoateFL/FR
 methyl (E)-2-hexenoateFL/FR
(E)-2-octenalFL/FR
floral
 geranyl acetateFL/FR
 hexyl 2-furoateFL/FR
 hydroxycitronellalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 jasmin cyclopentanolFR
 phenethyl hexanoateFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 apple ketalFL/FR
isobutyl hexanoateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cyclohexyl propionateFL/FR
 diethyl malonateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl hexanoateFL/FR
 grape butyrateFL/FR
 green acetateFR
(E)-3-hexen-1-yl acetateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 methyl 2-methyl butyrateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl isovalerateFL/FR
 propyl 2,4-decadienoateFL/FR
 propyl hexanoateFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
 heptyl formateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 marigold pot absoluteFL/FR
 melon nonenoateFL/FR
 neryl butyrateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
(E)-2-nonen-1-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
herbal
 tagete oil indiaFL/FR
melon
(Z)-6-nonen-1-olFL/FR
spicy
 cinnamyl isovalerateFL/FR
tropical
 ethyl (Z)-3-hexenoateFL/FR
vegetable
1-furfuryl pyrroleFL/FR
waxy
 decanal diethyl acetalFL/FR
9-decenoic acidFL/FR
 methyl butyl phenyl acetateFL/FR
(E)-methyl geranateFL/FR
2-methyl heptanoic acidFL/FR
 methyl octanoateFL/FR
2-nonanolFL/FR
(Z)-3-nonen-1-olFL/FR
 octanolFL/FR
 phenethyl octanoateFL/FR
 
For Flavor
 
No flavor group found for these
 apple ketalFL/FR
 ethyl (Z)-3-hexenoateFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
2-hexenal diethyl acetalFL
 hydroxycitronellal dimethyl acetalFL/FR
 methyl (E)-2-hexenoateFL/FR
(E)-methyl geranateFL/FR
2-nonanolFL/FR
(Z)-3-nonen-1-olFL/FR
estery
 ethyl acetoacetateFL/FR
fatty
 allyl octanoateFL/FR
 heptyl formateFL/FR
(E)-2-octenalFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
isoamyl benzoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isobutyl hexanoateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
 diethyl malonateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl hexanoateFL/FR
 furfuryl propionateFL
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl acetateFL/FR
 hexyl phenyl acetateFL/FR
 methyl 2-methyl butyrateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl isovalerateFL/FR
 phenethyl octanoateFL/FR
 propyl hexanoateFL/FR
green
 geranyl acetateFL/FR
 grape butyrateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexenalFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl 2-furoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
 marigold pot absoluteFL/FR
 melon nonenoateFL/FR
 methyl octanoateFL/FR
4-methyl-2-pentenalFL
 neryl butyrateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E)-2-nonen-1-olFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 tagete oil indiaFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
melon
 propyl 2,4-decadienoateFL/FR
vegetable
1-furfuryl pyrroleFL/FR
waxy
 decanal diethyl acetalFL/FR
9-decenoic acidFL/FR
 hydroxycitronellalFL/FR
2-methyl heptanoic acidFL/FR
(Z)-6-nonen-1-olFL/FR
 octanolFL/FR
 phenethyl hexanoateFL/FR
(E)-2-tetradecenalFL/FR
 
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Potential Uses:
 appleFR
 bananaFR
 berryFR
 blueberryFR
 butterFR
 fruitFR
 grapeFR
 guavaFR
 kiwiFR
 pearFR
 plumFR
 strawberryFR
 tropicalFL
 wineFR
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Occurrence (nature, food, other): note
 lettuce lamb's lettuce
Search Trop  Picture
 mint oils
Search  Picture
 pepper tabasco pepper
Search  Picture
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Synonyms:
 butanoic acid, 3-methyl-, (2E)-2-hexen-1-yl ester
 butanoic acid, 3-methyl-, (2E)-2-hexenyl ester
 butanoic acid, 3-methyl-, 2-hexenyl ester, (E)-
 butyric acid, 3-methyl-, trans-hex-2-en-1-yl ester
(2E)-hex-2-en-1-yl 3-methylbutanoate
(E)-hex-2-enyl 3-methyl butanoate
(E)-hex-2-enyl isovalerate
[(E)-hex-2-enyl] 3-methylbutanoate
(E)-2-hexen-1-yl 3-methyl butanoate
(E)-2-hexen-1-yl isopentanoate
(E)-2-hexen-1-yl isovalerate
trans-2-hexen-1-yl isovalerate
(E)-2-hexen-1-yl-3-methyl butanoate
(2E)-2-hexenyl 3-methylbutanoate
(2E)-hexenyl isovalerate
(E)-2-hexenyl isovalerate
trans-2-hexenyl isovalerate
trans-2-hexenyl isovalerate (natural)
3-methyl butanoic acid (2E)-2-hexen-1-yl ester
(E)-3-methyl butanoic acid 2-hexen-1-yl ester
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Articles:
 None found yet.
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