EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(E)-2-hexen-1-yl isovalerate
trans-2-hexenyl isovalerate

Supplier Sponsors

Name:[(E)-hex-2-enyl] 3-methylbutanoate
CAS Number: 68698-59-9Picture of molecule3D/inchi
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):68698-59-9 ; (E)-2-HEXENYL ISOVALERATE
 
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 mmHg @ 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
 
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)
Flavor Type: green
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)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
trans-2-HEXEN-1-YL ISOVALERATE
Odor Description:Fruity, buttery odor. Not as sweet as other hexenyl esters.
Used in specialty fragrances.
Taste Description:fruity
Can be used to balance the overly-sweet notes of the other hexenyl esters.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
trans-2-HEXEN-1-YL ISOVALERATE
Odor: Fruity, buttery odor. Not as sweet as other hexenyl esters.
Use: Used in specialty fragrances.
Flavor: fruity
Can be used to balance the overly-sweet notes of the other hexenyl esters.
BOC Sciences
For experimental / research use only.
trans-2-Hexenyl Isovalerate
CJ Latta & Associates
TRANS-2-HEXENYL ISOVALERATE
Parchem
(E)-2-hexen-1-yl isovalerate
Penta International
TRANS-2-HEXENYL ISOVALERATE
TCI AMERICA
For experimental / research use only.
trans-2-Hexenyl Isovalerate >90.0%(GC)
 
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
Can be used to balance the overly-sweet notes of the other hexenyl esters.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Can be used to balance the overly-sweet notes of the other hexenyl esters.

Inhalation Toxicity:
Not determined
 
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): 1.44 (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
 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: --
 
Safety References:
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

Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
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
 
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
 
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 Substances Added to Food (formerly 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
 
Potential Blenders and core components note
For Odor
aldehydic
lily pentanal
FR
2-
methyl undecanal dimethyl acetal
FR
balsamic
iso
amyl benzoate
FL/FR
citrus
(E)-2-
tetradecenal
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
earthy
methyl undecylenate
FL/FR
ethereal
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
2,4-
decadien-1-ol
FL/FR
(E,E)-2,4-
decadien-1-ol
FL/FR
methyl (E)-2-hexenoate
FL/FR
(E)-2-
octenal
FL/FR
fermented
methyl decanoate
FL/FR
floral
(S)-
citronellyl acetate
FL/FR
floral undecenone
FR
geranyl acetate
FL/FR
geranyl formate
FL/FR
hexyl 2-furoate
FL/FR
hydroxycitronellal
FL/FR
hydroxycitronellal dimethyl acetal
FL/FR
jasmin cyclopentanol
FR
muguet carbinol
FL/FR
phenethyl hexanoate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl isovalerate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
amyl acetate
FL/FR
iso
amyl butyrate
FL/FR
alpha-
amyl cinnamyl isovalerate
FL/FR
iso
amyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl isovalerate
FL/FR
apple ketal
FL/FR
benzyl propionate
FL/FR
iso
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl valerate
FL/FR
butyl valerate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
diethyl malonate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-methyl butyrate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl hexanoate
FL/FR
geranyl butyrate
FL/FR
geranyl isovalerate
FL/FR
grape butyrate
FL/FR
green acetate
FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl heptanoate
FL/FR
methyl nonanoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
propyl 2,4-decadienoate
FL/FR
propyl hexanoate
FL/FR
green
iso
amyl formate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
heptyl formate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
hexyl phenyl acetate
FL/FR
marigold pot absolute
FL/FR
melon nonenoate
FL/FR
neryl butyrate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(E)-2-
nonen-1-ol
FL/FR
3-
octyl formate
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde ethylene glycol acetal
FR
herbal
linalyl isovalerate
FL/FR
3-
octyl acetate
FL/FR
tagete oil india
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
oily
petal pyranone
FL/FR
spicy
cinnamyl isovalerate
FL/FR
tropical
ethyl (Z)-3-hexenoate
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
decanal diethyl acetal
FL/FR
9-
decenoic acid
FL/FR
dodecyl acetate
FL/FR
methyl butyl phenyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl octanoate
FL/FR
2-
nonanol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
octanol
FL/FR
phenethyl octanoate
FL/FR
For Flavor
No flavor group found for these
ethyl (Z)-3-hexenoate
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
2-
hexenal diethyl acetal
FL
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
(E)-
methyl geranate
FL/FR
apple
apple
red
apple concentrate
FL
green
apple concentrate
FL
candy
candied
apple flavor
FL
caramellic
caramel apple flavor
FL
estery
ethyl acetoacetate
FL/FR
ethereal
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
2,4-
decadien-1-ol
FL/FR
(E,E)-2,4-
decadien-1-ol
FL/FR
heptyl formate
FL/FR
methyl decanoate
FL/FR
2,4-
octadien-1-ol
FL
(E)-2-
octenal
FL/FR
floral
(S)-
citronellyl acetate
FL/FR
muguet carbinol
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl isovalerate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
amyl acetate
FL/FR
iso
amyl benzoate
FL/FR
alpha-
amyl cinnamyl isovalerate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
apple apricot flavor
FL
apple banana flavor
FL
apple blueberry flavor
FL
apple cherry flavor
FL
apple cider flavor
FL
apple cobbler flavor
FL
apple concentrate
FL
apple distillates
FL
red
apple flavor
FL
mcintosh
apple flavor
FL
granny smith
apple flavor
FL
gala
apple flavor
FL
delicious
apple flavor
FL
golden delicious
apple flavor
FL
pippin
apple flavor
FL
baked
apple flavor
FL
red delicious
apple flavor
FL
fuji
apple flavor
FL
green
apple flavor
FL
apple ketal
FL/FR
benzyl propionate
FL/FR
iso
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl valerate
FL/FR
butyl valerate
FL/FR
cinnamyl isovalerate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
diethyl malonate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl hexanoate
FL/FR
furfuryl propionate
FL
geranyl butyrate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
hexyl phenyl acetate
FL/FR
linalyl isovalerate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl heptanoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
phenethyl octanoate
FL/FR
propyl hexanoate
FL/FR
green
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
geranyl acetate
FL/FR
geranyl formate
FL/FR
geranyl isovalerate
FL/FR
grape butyrate
FL/FR
heptanal 2,3-butane diol acetal
FL
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl 2-furoate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
marigold pot absolute
FL/FR
melon nonenoate
FL/FR
methyl 2-undecynoate
FL
methyl octanoate
FL/FR
4-
methyl-2-pentenal
FL
neryl butyrate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(E)-2-
nonen-1-ol
FL/FR
3-
octyl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
tagete oil india
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
melon
propyl 2,4-decadienoate
FL/FR
oily
petal pyranone
FL/FR
sweet
apple brown
sugar flavor
FL
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
iso
amyl butyrate
FL/FR
decanal diethyl acetal
FL/FR
9-
decenoic acid
FL/FR
dodecyl acetate
FL/FR
furfuryl octanoate
FL
hydroxycitronellal
FL/FR
hydroxycitronellal dimethyl acetal
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl undecylenate
FL/FR
2-
nonanol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
octanol
FL/FR
3-
octyl formate
FL/FR
phenethyl hexanoate
FL/FR
(E)-2-
tetradecenal
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
FRapple
FRbanana
FRberry
FRblueberry
FRbutter
FRfruit
FRgrape
FRguava
FRkiwi
FRpear
FRplum
FRstrawberry
FLtropical
FRwine
 
Occurrence (nature, food, other):note
 lettuce lamb's lettuce
Search Trop Picture
 mint oils
Search Trop Picture
 pepper tabasco pepper
Search PMC Picture
 
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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