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3-hexenyl isovalerate
3-hexenyl 3-methylbutanoate

Supplier Sponsors

Name:hex-3-enyl 3-methylbutanoate
CAS Number: 10032-11-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:233-104-1
FDA UNII:L9KN8775G8
CoE Number:2344
XlogP3-AA:3.20 (est)
Molecular Weight:184.27880000
Formula:C11 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
(Z) or (E) isomer not specified by CASrn in Register.
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:202 3-hexenyl 3-methylbutanoate
FLAVIS Number:09.505 (Old)
DG SANTE Food Flavourings:09.505 hex-3-enyl isovalerate
FEMA Number:3498 3-hexenyl 3-methylbutanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):10032-11-8 ; 3-HEXENYL ISOVALERATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 231.00 to 232.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.061000 mmHg @ 25.00 °C. (est)
Flash Point: 175.00 °F. TCC ( 79.44 °C. )
logP (o/w): 3.772 (est)
Soluble in:
 alcohol
 water, 19.61 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
Substantivity: > 4 hour(s) at 100.00 %
sweet apple green apple apple
Odor Description:at 10.00 % in dipropylene glycol. sweet green apple
Flavor Type: green
valerian root cheesy ripe fruity
Taste Description: valerian root cheese ripe fruity
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
cis-3-HEXENYL ISOVALERATE ≥99.0% (sum of isomers), FCC, Kosher
Odor Description:Fresh green apple with notes reminiscent of fresh blueberries
Adds juicy notes to green, herbal, and fruity complexes.
Taste Description:Valerian type notes, cheese, ripe fruity notes
Ripe apple, blueberry, banana, plum, and guava. Also useful for cheese and walnut at higher levels.
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
CIS 3 HEXENYL ISOVALERATE NATURAL
Ambles Nature et Chimie
ISOVALERATE CIS-3 HEXENYL NAT
Bedoukian Research
cis-3-HEXENYL ISOVALERATE
≥99.0% (sum of isomers), FCC, Kosher
Odor: Fresh green apple with notes reminiscent of fresh blueberries
Use: Adds juicy notes to green, herbal, and fruity complexes.
Flavor: Valerian type notes, cheese, ripe fruity notes
Ripe apple, blueberry, banana, plum, and guava. Also useful for cheese and walnut at higher levels.
Parchem
3-hexen-1-yl isovalerate
 
Safety Information:
Preferred SDS: View
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3-hexenyl isovalerate usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 8.00 (μg/capita/day)
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: 10
 average usual ppmaverage maximum ppm
baked goods: -37.00000
beverages(nonalcoholic): -14.00000
beverages(alcoholic): -7.00000
breakfast cereal: --
cheese: --
chewing gum: -2.60000
condiments / relishes: --
confectionery froastings: -28.70000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -16.00000
fruit ices: -16.00000
gelatins / puddings: -14.70000
granulated sugar: --
gravies: --
hard candy: --
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: --
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):

Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):10032-11-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :37065
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:2
hex-3-enyl 3-methylbutanoate
Chemidplus:0010032118
 
References:
 hex-3-enyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:10032-11-8
Pubchem (cid):37065
Pubchem (sid):135017168
 
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):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
iso
amyl benzoate
FL/FR
citrus
2-
heptanol
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
fatty
3-
decen-2-one
FL/FR
methyl (E)-2-hexenoate
FL/FR
floral
gamma-
damascone
FR
alpha-
damascone
FL/FR
methyl citronellate
FL/FR
fruity
allyl amyl glycolate
FR
allyl butyrate
FL/FR
allyl cyclohexyl acetate
FL/FR
amyl 2-methyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl isobutyrate
FL/FR
iso
amyl isovalerate
FL/FR
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
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-acetoxyhexanoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl isovalerate
FL/FR
green acetate
FR
heptanal cyclic ethylene acetal
FR
2-
hexen-1-ol
FL/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 formate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
nerolidyl isobutyrate
FR
nonyl isovalerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
2-
pentyl furan
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl acetate
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl heptanoate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
rhubarb undecane
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical thiazole
FL/FR
green
iso
amyl formate
FL/FR
butyl heptanoate
FL/FR
alpha-
decalactone
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal diethyl acetal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
manzanate (Givaudan)
FL/FR
marigold pot absolute
FL/FR
(E)-2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
propylene acetal
FL/FR
violet dienyne
FR
herbal
tagete oil india
FL/FR
minty
carvyl acetate
FL/FR
spicy
cinnamyl isovalerate
FL/FR
(E)-
tiglic acid
FL/FR
tropical
beta-
cyclocitral
FL/FR
waxy
iso
amyl laurate
FL/FR
ethyl decanoate
FL/FR
octyl 2-methyl butyrate
FL/FR
woody
marine formate
FR
verdoxan
FR
For Flavor
No flavor group found for these
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
geranyl 2-methyl butyrate
FL/FR
heptyl 2-methyl butyrate
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
(Z)-3-
hexenal diethyl acetal
FL/FR
(E)-2-
hexenal dimethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl (E)-2-hexenoate
FL/FR
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
nonyl isovalerate
FL/FR
(E,E)-3,5-
octadien-2-one
FL
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
FL/FR
propylene acetal
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
brown
(E)-
tiglic acid
FL/FR
cooling
manzanate (Givaudan)
FL/FR
estery
ethyl acetoacetate
FL/FR
fatty
iso
amyl laurate
FL/FR
floral
methyl citronellate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
iso
amyl benzoate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl heptanoate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isovalerate
FL/FR
cyclohexyl isovalerate
FL/FR
alpha-
damascone
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-methyl butyrate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
furfuryl propionate
FL
2-
heptanol
FL/FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl acetate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl isobutyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
fusel
methyl butyrate
FL/FR
green
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
iso
butyl isovalerate
FL/FR
3-
decen-2-one
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl formate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
marigold pot absolute
FL/FR
methyl 2-undecynoate
FL
4-
methyl-2-pentenal
FL
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
tagete oil india
FL/FR
minty
carvyl acetate
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
tropical
beta-
cyclocitral
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl decanoate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
propyl heptanoate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 mint
Search Trop Picture
 pepper
Search PMC Picture
 
Synonyms:
 butanoic acid, 3-methyl-, 3-hexen-1-yl ester
 butyric acid, 3-methyl-, hex-3-en-1-yl ester
 butyric acid, 3-methyl-, hex-3-enyl ester
 hex-3-en-1-yl 3-methylbutanoate
 hex-3-enyl 3-methylbutanoate
 hex-3-enyl isovalerate
3-hexen-1-yl 3-methyl butanoate
3-hexen-1-yl 3-methylbutanoate
3-hexen-1-yl isovalerate
3-hexenyl 3-methylbutanoate
3-methyl butanoic acid 3-hexen-1-yl ester
isovaleric acid 3-hexen-1-yl ester
 

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