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 hexanoate
(E)-2-hexenyl hexanoate

Sponsors

CAS Number: 53398-86-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:258-519-5
FDA UNII:CF5RIO6PQE
Nikkaji Web:J102.207E
MDL:MFCD00036551
XlogP3-AA:3.90 (est)
Molecular Weight:198.30574000
Formula:C12 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:hexanoic acid 2.00% to 3.00%
 2-hexen-1-ol 2.00% to 3.00%
EFSA/JECFA Comments:
At least 93%; secondary components 2-3% hexanoic acid and 2-3% 2-hexenol. (EFSA)
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1381 (E)-2-hexenyl hexanoate
FLAVIS Number:09.398 (Old)
DG SANTE Food Flavourings:09.398 hex-(2E)-enyl hexanoate
FEMA Number:3983 (E)-2-hexenyl hexanoate
FDA Mainterm: 2-HEXENYL HEXANOATE, TRANS-
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 93.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.87300 to 0.88000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.264 to 7.322
Refractive Index:1.43300 to 1.44000 @ 20.00 °C.
Boiling Point: 125.00 °C. @ 25.00 mm Hg
Boiling Point: 90.00 °C. @ 4.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure:0.016000 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 217.00 °F. TCC ( 102.78 °C. )
logP (o/w): 4.655 (est)
Soluble in:
 alcohol
 water, 5.496 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl hexanoate
allyl thiohexanoate
amyl hexanoate
isoamyl hexanoate
para-anisyl hexanoate
benzyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
citronellyl hexanoate
meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
dimethyl benzyl carbinyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
furfuryl hexanoate
geranyl hexanoate
heptyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
3-mercaptohexyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
prenyl hexanoate
propyl hexanoate
isopropyl hexanoate
sulfuryl hexanoate
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
Substantivity:21 hour(s) at 100.00 %
green natural cognac herbal waxy clean
Odor Description:at 100.00 %. green natural cognac herbal waxy clean
Luebke, William tgsc, (2009)
Odor sample from: Apiscent Labs, LLC
Flavor Type: green
">green apple green apple apple tropical pear kiwi leafy
Taste Description: green green apple apple tropical pear kiwi leafy
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
trans-2-HEXENYL CAPROATE (HEXANOATE) ≥93.0%, Kosher
Odor Description:Green, fruity, cheesy
Can be used as a modifier for galbanum and other green topnotes.
Taste Description:green
A good blender to use to balance out the harsh sweet notes in pineapple flavors.
Apiscent Labs
T2 HEXENYL HEXANOATE
Odor Description:Sweet, diffusive, fruity, green
FCI SAS
TRANS-2-HEXENYL HEXANOATE
Odor Description:Sweet, diffusive, fruity green
Taste Description:Apple-like
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Apiscent Labs
T2 HEXENYL HEXANOATE
Odor: Sweet, diffusive, fruity, green
Bedoukian Research
trans-2-HEXENYL CAPROATE (HEXANOATE)
≥93.0%, Kosher
Odor: Green, fruity, cheesy
Use: Can be used as a modifier for galbanum and other green topnotes.
Flavor: green
A good blender to use to balance out the harsh sweet notes in pineapple flavors.
BOC Sciences
For experimental / research use only.
trans-2-HEXENYL CAPROATE 93.0%
FCI SAS
TRANS-2-HEXENYL HEXANOATE
Odor: Sweet, diffusive, fruity green
Flavor: Apple-like
Inoue Perfumery
TRANS-2-HEXENYL HEXANOATE
M&U International
T2-HEXENYL HEXANOATE, Kosher
Naturamole
trans-2-hexenyl hexanoate 95% natural EU
Penta International
trans-2-HEXENYL CAPROATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
trans-2-Hexenyl Hexanoate
TCI AMERICA
For experimental / research use only.
trans-2-Hexenyl Hexanoate >97.0%(GC)
 
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.
Human Experience:
2% in petrolatum produced no irritation or sensitization in humans.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (E)-2-hexen-1-yl hexanoate 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): 0.09 (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: 20
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.500005.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
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):
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):53398-86-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5352973
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(E)-hex-2-enyl] hexanoate
Chemidplus:0053398860
 
References:
 [(E)-hex-2-enyl] hexanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:53398-86-0
Pubchem (cid):5352973
Pubchem (sid):135061337
Pherobase:View
 
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):HMDB38924
Export Tariff Code:2915.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-
tiglaldehyde
FL/FR
aldehydic
aldehydic
tridecanal
FL/FR
N/i-
tridecanal
FR
undecenal mixture (aldehyde C-11 mixed)
FL/FR
animal
para-
cresyl isobutyrate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
buttery
butyl octanoate
FL/FR
citrus
2-
heptanol
FL/FR
clean
undecyl acetate
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
fatty
3-
decen-2-one
FL/FR
hexyl pivalate
FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
boronia absolute
FL/FR
citronellal
FL/FR
citronellyl phenyl acetate
FL/FR
citronellyl propionate
FL/FR
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
gelsone (IFF)
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl hexanoate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
lily propanol
FR
neryl acetate
FL/FR
octyl acetate
FL/FR
papaya isobutyrate
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
allyl amyl glycolate
FR
allyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
iso
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
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-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
geranyl isovalerate
FL/FR
heptanal cyclic ethylene acetal
FR
heptyl isobutyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/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
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
nerolidyl isobutyrate
FR
octen-1-yl cyclopentanone
FL/FR
2-
pentyl furan
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
rhubarb undecane
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical thiazole
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde methyl hexyl acetal
FR
iso
amyl formate
FL/FR
butyl 2-methyl butyrate
FL/FR
cognac heptanone
FL/FR
alpha-
decalactone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
green dioxolane
FR
green note propionate
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
(Z)-3-
hexen-1-yl propionate
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
2-
hexenyl acetate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
manzanate (Givaudan)
FL/FR
marigold pot absolute
FL/FR
2,6-
nonadien-1-ol
FL/FR
(E)-2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
propylene acetal
FL/FR
sorbyl isobutyrate
FL/FR
thiogeraniol
FL/FR
violet dienyne
FR
herbal
anthemis nobilis flower oil roman
FL/FR
beta-
elemene
FL/FR
tricyclodecyl acetate
FR
musk
ethylene dodecanoate
FR
soapy
methyl anthranilate / hexyl cinnamaldehyde schiff's base
FR
spicy
bayberry fragrance
FR
pimenta acris leaf oil
FL/FR
sulfurous
buchu mercaptan
FL/FR
tropical
beta-
cyclocitral
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
waxy
iso
amyl decanoate
FL/FR
9-
decenoic acid
FL/FR
decyl acetate
FL/FR
dihydrocitronellyl acetate
FL/FR
(E)-
geranyl oxyacetaldehyde
FR
(E)-
methyl geranate
FL/FR
nonyl acetate
FL/FR
octyl 2-methyl butyrate
FL/FR
woody
sandal cyclopentane
FR
verdoxan
FR
woody acetate
FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
allyl tiglate
FL
butyl 2-methyl butyrate
FL/FR
butyl octanoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
dihydrocitronellyl acetate
FL/FR
beta-
elemene
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
2-
hexenyl acetate
FL/FR
hexyl (E)-2-hexenoate
FL
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
methyl 4-pentenoate
FL
(E)-
methyl geranate
FL/FR
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
4-
phenyl-2-butyl acetate
FL/FR
prenyl hexanoate
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
propylene acetal
FL/FR
(E)-
tiglaldehyde
FL/FR
undecenal mixture (aldehyde C-11 mixed)
FL/FR
undecyl acetate
FL/FR
sorbyl isobutyrate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
aromatic
para-
cresyl isobutyrate
FL/FR
berry
heptyl isobutyrate
FL/FR
citrus
cognac heptanone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
earthy
1-
hexen-3-yl acetate
FL
estery
ethyl acetoacetate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
floral
citronellal
FL/FR
citronellyl phenyl acetate
FL/FR
citronellyl propionate
FL/FR
(E)-
geranyl acetone
FL/FR
neryl acetate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
iso
amyl benzoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
berry pentadienoate
FL/FR
boronia absolute
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
furfuryl propionate
FL
geranyl hexanoate
FL/FR
2-
heptanol
FL/FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl acetate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
3-
decen-2-one
FL/FR
gelsone (IFF)
FL/FR
geranyl isovalerate
FL/FR
green note propionate
FL/FR
heptanal (aldehyde C-7)
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
marigold pot absolute
FL/FR
methyl 2-undecynoate
FL
2,6-
nonadien-1-ol
FL/FR
papaya isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
minty
thiogeraniol
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
sour
3-
methyl valeric acid
FL
spicy
pimenta acris leaf oil
FL/FR
sulfurous
buchu mercaptan
FL/FR
tropical
beta-
cyclocitral
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
iso
amyl decanoate
FL/FR
9-
decenoic acid
FL/FR
decyl acetate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
nonyl acetate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl acetate
FL/FR
tridecanal
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FRapple
FRfruit
FL/FRgalbanum
FRgreen
 
Occurrence (nature, food, other):note
 plumcot fruit
Search PMC Picture
 tea green tea with jasmin
PbMd Search Picture
 witch hazel leaf oil @ 0.03%
Data GC Search Trop Picture
 
Synonyms:
 hex-(2E)-enyl hexanoate
(2E)-hex-2-en-1-yl hexanoate
(E)-hex-2-enyl hexanoate
[(E)-hex-2-enyl] hexanoate
 hexanoic acid (2E)-2-hexenyl ester
 hexanoic acid (E)-hex-2-en-1-yl ester
(E)-hexanoic acid 2-hexenyl ester
 hexanoic acid, (2E)-2-hexen-1-yl ester
 hexanoic acid, (2E)-2-hexenyl ester
 hexanoic acid, 2-hexenyl ester, (E)-
(E)-2-hexen-1-yl caproate
2-hexen-1-yl caproate
trans-2-hexen-1-yl caproate
(E)-2-hexen-1-yl hexanoate
trans-2-hexen-1-yl hexanoate
(E)-2-hexenyl caproate
trans-2-hexenyl caproate
trans-2-hexenyl caproate (hexanoate)
(E)-2-hexenyl hexanoate
T2 hexenyl hexanoate
trans-2-hexenyl hexanoate
 
 
Notes:
None found
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