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BT
 

(Z)-3-hexen-1-yl acetoacetate
cis-3-hexenyl acetoacetate

Sponsors

Name: [(Z)-hex-3-enyl] 3-oxobutanoate
CAS Number: 84434-20-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 282-820-0
FDA UNII: 70D608M0TD
Nikkaji Web: J297.678A
XlogP3: 1.60 (est)
Molecular Weight: 184.23512000
Formula: C10 H16 O3
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: 1974 cis-3-hexenyl acetoacetate
FEMA Number: 4489 cis-3-hexenyl acetoacetate
FDA Mainterm: CIS-3-HEXENYL ACETOACETATE
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 93.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.98000 to 0.99000 20.00 °C.
Pounds per Gallon - (est).: 8.164 to 8.247
Refractive Index: 1.44500 to 1.45500 @ 20.00 °C.
Boiling Point: 254.00 to 255.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.017000 mm/Hg @ 25.00 °C. (est)
Flash Point: 221.00 °F. TCC ( 105.00 °C. )
logP (o/w): 2.423 (est)
Soluble in:
 alcohol
 water, 2511 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
amyl acetoacetate
isoamyl acetoacetate
para-anisyl acetoacetate
benzyl acetoacetate
bergamot acetoacetate
butyl acetoacetate
isobutyl acetoacetate
cinnamyl acetoacetate
cyclohexyl acetoacetate
dodecyl acetoacetate
ethyl 2-ethyl acetoacetate
ethyl acetoacetate
geranyl acetoacetate
heptyl acetoacetate
hexyl acetoacetate
jasmin acetoacetate
laevo-menthyl acetoacetate
methyl acetoacetate
spicy acetoacetate
 
Organoleptic Properties:
Odor Type: green
Odor Strength: medium
 earthy green floral
Odor Description:
at 100.00 %.
earthy green floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Butanoic acid, 3-oxo-,(3Z)-3-hexenyl ester (9CI)
BOC Sciences
For experimental / research use only.
(Z)-hex-3-enyl acetoacetate
Inoue Perfumery
CIS-3-HEXENYL ACETOACETATE
Parchem
(Z)-3-hexen-1-yl acetoacetate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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 (Z)-3-hexen-1-yl acetoacetate usage levels up to:
  1.0000 % 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: 24
 average usual ppmaverage maximum ppm
baked goods: 15.00000160.00000
beverages(nonalcoholic): 8.0000080.00000
beverages(alcoholic): 5.0000050.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 8.0000080.00000
fruit ices: --
gelatins / puddings: 8.0000080.00000
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: 10.00000100.00000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 20836219
National Institute of Allergy and Infectious Diseases: Data
 [(Z)-hex-3-enyl] 3-oxobutanoate
Chemidplus: 0084434208
 
References:
 [(Z)-hex-3-enyl] 3-oxobutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 84434-20-8
Pubchem (cid): 20836219
Pubchem (sid): 135210212
 
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): Search
ChemSpider: View
FAO: cis-3-Hexenyl acetoacetate
 
Potential Blenders and core components note
For Odor
aldehydic
iso
butyraldehyde
FL/FR
6,7,8-
decen-1-ol
FR
dodecanal (aldehyde C-12 lauric)
FL/FR
3-
methyl-4-hexyl oxybutyraldehyde
FR
balsamic
iso
amyl benzoate
FL/FR
benzyl salicylate
FL/FR
bornyl formate
FL/FR
cinnamyl formate
FL/FR
caramellic
2-iso
butyl-3-methyl pyrazine
FL/FR
citrus
bergamot oil
FL/FR
bergamot oil bergaptene reduced italy
FL/FR
bergamot oil turkey
FL/FR
citral dimethyl acetal
FL/FR
citrus floral green fragrance
FR
2,4-
dimethyl-3-cyclohexene-1-methanyl acetate
FR
2-
heptanol
FL/FR
nonanal dimethyl acetal
FL/FR
(E)-2-
tetradecenal
FL/FR
2-
tetradecenal
FL/FR
coconut
delta-
heptalactone
FL/FR
earthy
1-
nonen-3-ol
FL/FR
1-
octen-3-ol
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
fatty
2-
decenal
FL/FR
methyl (E)-2-hexenoate
FL/FR
floral
acetaldehyde dibutyl acetal
FL/FR
amyl benzoate
FL/FR
amyl salicylate
FL/FR
iso
amyl salicylate
FL/FR
anisyl propanal / methyl anthranilate schiff's base
FR
boronia concrete
FL/FR
alpha-
butyl cinnamaldehyde
FL/FR
citronellyl acetate
FL/FR
citronellyl propionate
FL/FR
coriander seed oil CO2 extract
FL/FR
cumin carbinol
FR
dictamnus hispanicus oil
FR
dihydrocarvyl acetate
FL/FR
(±)-2,3-
dihydrofarnesol
FL/FR
dihydroisojasmonate methyl ester
FR
dimethyl benzyl carbinol
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
6,8-
dimethyl-2-nonanol
FR
ethyl phenoxyacetate
FR
farnesol
FL/FR
farnesyl acetate
FL/FR
floral butanal
FR
floral undecenone
FR
gardenia absolute
FR
gardenia acetal
FR
gardenia concrete
FR
geranium dihydropyran
FR
geranium oil
FL/FR
geranium oil africa
FL/FR
geranyl acetone
FL/FR
geranyl formate
FL/FR
geranyl nonanoate
CS
(Z)-4-
hepten-2-yl salicylate
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hexyl lactate
FL/FR
hyacinth oil
FR
hydrangea fragrance
FR
hydroxycitronellal diethyl acetal
FL/FR
hydroxycitronellal propylene glycol acetal
FL/FR
jasmin cyclopentanol
FR
jonquil absolute
FR
leerall
FR
lilac absolute
FR
lily fragrance
FR
lily propanol
FR
lilyall
FR
linalool oxide
FL/FR
linalyl phenyl acetate
FL/FR
lotus fragrance
FR
magnolia indene
FR
(2-
methoxy-1-methyl propyl) benzene
FR
(3-
methoxy-2-methyl propyl) benzene
FR
1-(2-
methyl allyl oxy)-2-methyl butane
FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
nerol
FL/FR
neroli oil CO2 extract
FL/FR
nerolidol
FL/FR
(E)-
nerolidol
FL/FR
ocean propanal
FL/FR
ocean propanal / methyl anthranilate schiff's base
FR
octyl acetate
FL/FR
orange leaf absolute
FL/FR
bitter
orangeflower absolute tunisia
FL/FR
orchid specialty
FR
papaya isobutyrate
FL/FR
phenyl acetaldehyde dicitronellyl acetal
FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
2-
phenyl propyl acetate
FL/FR
rhodinyl formate
FL/FR
rose butanoate
FL/FR
(Z)-
rose oxide
FL/FR
laevo-
rose oxide
FL/FR
rose pyran
FR
(R)-
styralyl alcohol
FL/FR
styralyl formate
FL/FR
sweet pea absolute
FR
terpinyl isobutyrate
FL/FR
5-
tricyclodecenyl acetate
FR
(S,E)-3,7,11-
trimethyldodeca-6,10-dienal
FR
verdyl acetate
FR
violet methyl carbonate
FR
ylang ylang flower oil III
FL/FR
fresh
3-(3-
propen-2-yl phenyl) butanal
FR
fruity
allyl amyl glycolate
FR
allyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
benzyl methyl ether
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
citronellyl isobutyrate
FL/FR
cyclohexyl crotonate
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 methyl-para-tolyl glycidate
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
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
nerolidyl isobutyrate
FR
(Z)-3-
octen-1-ol
FL/FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
peach pivalate
FR
2-
pentyl furan
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
rhubarb undecane
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
fungal
jasmin nonane
FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
iso
amyl formate
FL/FR
iso
butyl benzyl carbinol
FL/FR
chrysanthemum oxide
FL/FR
cumin acetaldehyde
FL/FR
alpha-
decalactone
FL/FR
alpha,alpha-
dimethyl benzyl alcohol
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
earthy acetal
FL/FR
ferula galbaniflua gum extract
FL/FR
flower hexene
FR
galbanum resinoid replacer
FR
geranium absolute
FL/FR
green cyclopropionate
FR
(Z)-3-
hepten-1-ol
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl angelate
FR
(Z)-3-
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
hexen-1-yl oxypropane nitrile
FR
hexyl (Z)-tiglate
FL/FR
hexyl octanoate
FL/FR
hyacinth absolute
FL/FR
ivy dioxolane
FR
(2-
methoxy-1-methyl butyl) benzene
FR
[(4E,4Z)-5-
methoxy-3-methyl-4-penten-1-yl] benzene
FR
methyl cyclocitrone (IFF)
FR
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
4-
methyl-4-phenyl pentanone
FR
octanal dimethyl acetal
FL/FR
octyl oxyacetaldehyde
FR
pelargonium graveolens stem leaf extract
FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde solution
FL/FR
rose furan epoxide
FL/FR
2,4,8-
trimethyl-5-oxatricyclo(6.2.1.0*2,6*)undecane
FR
violet dienyne
FR
herbal
chrysanthemum ketone
FR
clary sage absolute
FL/FR
coriander oleoresin
FL/FR
dihexyl (E)-fumarate
FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
linalyl acetate
FL/FR
2-
methyl butyl salicylate
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
phenyl acetaldehyde diisoamyl acetal
FR
medicinal
kunzea ericoides leaf oil
FR
spicy
cinnamyl isovalerate
FL/FR
cinnamyl propionate
FL/FR
iso
cyclogeraniol (IFF)
FR
spicy carbonate
FR
tea
camellia oleifera leaf extract
FL/FR
tropical
beta-
cyclocitral
FL/FR
waxy
3-
decanone
FL/FR
octyl 2-methyl butyrate
FL/FR
woody
verdoxan
FR
For Flavor
No flavor group found for these
acetaldehyde dibutyl acetal
FL/FR
amyl benzoate
FL/FR
benzyl disulfide
FL
bornyl formate
FL/FR
boronia concrete
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
3-
decanone
FL/FR
(±)-2,3-
dihydrofarnesol
FL/FR
alpha,alpha-
dimethyl benzyl alcohol
FL/FR
earthy acetal
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
hexyl (Z)-tiglate
FL/FR
hyacinth absolute
FL/FR
hydroxycitronellal propylene glycol acetal
FL/FR
linalyl phenyl acetate
FL/FR
methyl (E)-2-hexenoate
FL/FR
2-
methyl butyl salicylate
FL/FR
2-
methyl-2-octenal
FL
(E)-2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
phenyl acetaldehyde solution
FL/FR
2-
phenyl propyl acetate
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
rose furan epoxide
FL/FR
(R)-
styralyl alcohol
FL/FR
styralyl formate
FL/FR
terpinyl isobutyrate
FL/FR
2-
tetradecenal
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
alpha-
butyl cinnamaldehyde
FL/FR
aldehydic
aldehydic
iso
butyraldehyde
FL/FR
alliaceous
tropical thiazole
FL/FR
amber
iso
butyl benzyl carbinol
FL/FR
aromatic
amyl salicylate
FL/FR
balsamic
benzyl salicylate
FL/FR
camphoreous
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
citrus
bergamot oil
FL/FR
bergamot oil bergaptene reduced italy
FL/FR
bergamot oil turkey
FL/FR
citral dimethyl acetal
FL/FR
nerol
FL/FR
earthy
1-
nonen-3-ol
FL/FR
estery
ethyl acetoacetate
FL/FR
fatty
2-
decenal
FL/FR
(Z)-3-
octen-1-ol
FL/FR
floral
cinnamyl propionate
FL/FR
citronellyl acetate
FL/FR
citronellyl propionate
FL/FR
dihydrocarvyl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
farnesol
FL/FR
farnesyl acetate
FL/FR
geranium oil
FL/FR
geranium oil africa
FL/FR
geranyl acetone
FL/FR
linalyl acetate
FL/FR
neroli oil CO2 extract
FL/FR
ocean propanal
FL/FR
orange leaf absolute
FL/FR
bitter
orangeflower absolute tunisia
FL/FR
laevo-
rose oxide
FL/FR
tropical ionone
FL/FR
ylang ylang flower oil III
FL/FR
fruity
iso
amyl benzoate
FL/FR
amyl formate
FL/FR
iso
amyl octanoate
FL/FR
benzyl methyl ether
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isovalerate
FL/FR
citronellyl isobutyrate
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 methyl-para-tolyl glycidate
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
hexyl lactate
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
octen-1-yl cyclopentanone
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
rhodinyl formate
FL/FR
rose butanoate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl salicylate
FL/FR
2-iso
butyl-3-methyl pyrazine
FL/FR
chrysanthemum oxide
FL/FR
clary sage absolute
FL/FR
coriander oleoresin
FL/FR
cumin acetaldehyde
FL/FR
3,4-
dimethoxystyrene
FL
ferula galbaniflua gum extract
FL/FR
geranium absolute
FL/FR
geranyl formate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl octanoate
FL/FR
horseradish oil
FL
linalool oxide
FL/FR
methyl 2-undecynoate
FL
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
4-
methyl-2-pentenal
FL
(E)-
nerolidol
FL/FR
nerolidol
FL/FR
nonanal dimethyl acetal
FL/FR
octanal dimethyl acetal
FL/FR
papaya isobutyrate
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
propylene glycol acetone ketal
FL
(Z)-
rose oxide
FL/FR
herbal
coriander seed oil CO2 extract
FL/FR
lactonic
delta-
heptalactone
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
melon
hydroxycitronellal diethyl acetal
FL/FR
mushroom
1-
octen-3-ol
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
spicy
cinnamyl formate
FL/FR
tea
camellia oleifera leaf extract
FL/FR
tropical
beta-
cyclocitral
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl acetate
FL/FR
octyl butyrate
FL/FR
(E)-2-
tetradecenal
FL/FR
woody
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
 citrusFL
 earth humus 
 floral 
 fruit 
 grass 
 greenFL
 orchid 
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
 butanoic acid, 3-oxo-, 3-hexenyl ester, (Z)-
 butanoic acid, 3-oxo-,(3z)-3-hexenyl ester (9ci)
(3Z)-hex-3-en-1-yl 3-oxobutanoate
(Z)-hex-3-enyl acetoacetate
[(Z)-hex-3-enyl] 3-oxobutanoate
cis-3-hexenyl acetoacetate
 hexenyl oxanate
 

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