2-hexenyl acetate
2-hexen-1-yl acetate
 
Notes:
Found in strawberry (Fragaria) and other fruits and essential oils. Used in artificial fruit flavours
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CAS Number: 10094-40-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 233-223-9
CoE Number: 643
XlogP3-AA: 2.00 (est)
Molecular Weight: 142.19798000
Formula: C8 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.89000 to 0.89700 @  25.00 °C.
Pounds per Gallon - (est).: 7.406 to  7.464
Refractive Index: 1.42400 to 1.43000 @  20.00 °C.
Boiling Point: 165.00 to  166.00 °C. @ 760.00 mm Hg
Vapor Pressure: 1.868000 mmHg @ 25.00 °C. (est)
Flash Point: 137.00 °F. TCC ( 58.33 °C. )
logP (o/w): 2.617 (est)
Soluble in:
 alcohol
 water, 480.5 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: green
 
 green  fruity  
Odor Description:
at 10.00 % in dipropylene glycol. 		green fruity
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-hexenyl acetate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
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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
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 10094-40-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 17243
National Institute of Allergy and Infectious Diseases: Data
 hex-2-enyl acetate
Chemidplus: 0010094403
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References:
 hex-2-enyl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 10094-40-3
Pubchem (cid): 17243
Pubchem (sid): 135067480
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): HMDB40212
FooDB: FDB019924
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
ethereal
 butyl acetateFL/FR
 cyclohexyl formateFL/FR
isopropyl acetateFL/FR
fatty
 allyl octanoateFL/FR
3-decen-2-oneFL/FR
 methyl (E)-2-hexenoateFL/FR
(Z)-2-octenal 
(E)-2-octenalFL/FR
floral
 allyl anthranilateFL/FR
gamma-damasconeFR
alpha-damasconeFL/FR
(E)-geranyl acetoneFL/FR
 geranyl hexanoateFL/FR
 linalyl butyrateFL/FR
 methyl citronellateFL/FR
 phenethyl hexanoateFL/FR
 violet methyl carbonateFR
fruity
 allyl heptanoateFL/FR
 allyl isovalerateFL/FR
 allyl salicylateFR
 amyl 2-methyl butyrateFL/FR
isoamyl acetateFL/FR
 amyl acetateFL/FR
 amyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl heptanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl propionateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl 2-butenoateFL/FR
isobutyl acetateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
isobutyl propionateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
 decyl butyrateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 furfuryl acetateFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
3-hexanoneFL/FR
2-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl acetateFL/FR
 hexyl formateFL/FR
 methyl (E,Z)-2,4-decadienoateFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl acetateFL/FR
 methyl butyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
(E)-2-nonen-1-yl acetateFL/FR
 nonyl isovalerateFL/FR
2-pentanoneFL/FR
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
 propyl heptanoateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
isopropyl octanoateFL/FR
isopropyl propionateFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 butyl heptanoateFL/FR
 cognac heptanoneFL/FR
3,5,6-neocyclocitralFR
 diphenyl oxideFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 galbanum oil terpenelessFL/FR
 galbanum oleoresinFL/FR
 geranium absoluteFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
 heptyl cinnamateFL/FR
3-hexen-1-olFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
3-hexenalFL/FR
(E)-2-hexenalFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl heptanoateFL/FR
 hexyl isobutyrateFL/FR
(Z)-leaf acetalFL/FR
 leafy acetalFL/FR
 leafy oximeFR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 octanal dimethyl acetalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
(E)-2-pentenalFL/FR
3-phenyl propionaldehydeFL/FR
isopropyl phenyl propionaldehydeFR
 rose leaf absolute (rosa centifolia)FL/FR
 styralyl acetateFL/FR
herbal
isoamyl heptanoateFL/FR
 herbal heptaneFR
minty
isopulegyl formateFL/FR
waxy
 ethyl decanoateFL/FR
 ethyl octanoateFL/FR
woody
 marine formateFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 allyl anthranilateFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
 diethyl maleateFL
 geranyl 2-methyl butyrateFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
 heptyl 2-methyl butyrateFL
 heptyl cinnamateFL/FR
3-hexen-1-olFL/FR
(E)-2-hexenalFL
2-hexenalFL
(Z)-3-hexenal diethyl acetalFL/FR
(Z)-3-hexenal dimethyl acetal 
(E)-2-hexenal dimethyl acetalFL
 hexyl heptanoateFL/FR
 methyl (E,Z)-2,4-decadienoateFL/FR
 methyl (E)-2-hexenoateFL/FR
3-methyl-3-pentanolFL
 nonyl isovalerateFL/FR
(Z)-2-octenal 
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
isopulegyl formateFL/FR
aromatic
 leafy acetalFL/FR
citrus
 cognac heptanoneFL/FR
estery
 furfuryl acetateFL/FR
ethereal
 butyl acetateFL/FR
isopropyl acetateFL/FR
fatty
 allyl octanoateFL/FR
 ethyl (E)-4-decenoateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(E)-2-octenalFL/FR
floral
(E)-geranyl acetoneFL/FR
 linalyl butyrateFL/FR
 methyl citronellateFL/FR
fruity
 allyl heptanoateFL/FR
 allyl isovalerateFL/FR
 amyl acetateFL/FR
isoamyl acetateFL/FR
 amyl butyrateFL/FR
 amyl heptanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl propionateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl acetateFL/FR
 butyl heptanoateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl propionateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
alpha-damasconeFL/FR
 decyl butyrateFL/FR
 ethyl (E)-2-decenoateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 furfuryl propionateFL
 geranyl hexanoateFL/FR
3-hexanoneFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl acetateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
2-pentanoneFL/FR
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
isopropyl octanoateFL/FR
isopropyl propionateFL/FR
 styralyl acetateFL/FR
fusel
 methyl butyrateFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
isobutyl 2-butenoateFL/FR
isobutyl isovalerateFL/FR
 cyclohexyl formateFL/FR
3-decen-2-oneFL/FR
 diphenyl oxideFL/FR
 galbanum oil terpenelessFL/FR
 galbanum oleoresinFL/FR
 geranium absoluteFL/FR
 geranyl isovalerateFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
3-hexenalFL/FR
(E)-2-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
(Z)-leaf acetalFL/FR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 octanal dimethyl acetalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
(E)-2-pentenalFL/FR
3-phenyl propionaldehydeFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
herbal
isoamyl heptanoateFL/FR
waxy
isoamyl butyrateFL/FR
 ethyl decanoateFL/FR
 ethyl octanoateFL/FR
(E)-2-nonen-1-yl acetateFL/FR
 phenethyl hexanoateFL/FR
 propyl heptanoateFL/FR
 
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Potential Uses:
 apple red appleFR
 bananaFR
 cranberryFR
 geraniumFR
 guavaFR
 honeydewFR
 melonFR
 mintFR
 passion fruitFR
 pearFR
 pineappleFR
 root beerFR
 sageFR
 spiceFR
 tea black teaFL
 tomatoFL
 waxy 
 wineFR
 wintergreenFR
 ylang ylangFR
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Occurrence (nature, food, other): note
 peach fruit
Search Trop  Picture
 strawberry wild strawberry fruit
Search Trop  Picture
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Synonyms:
 acetic acid hex-2-enyl ester
1-acetoxy-2-hexene
 hex-2-en-1-yl acetate
 hex-2-enyl acetate
2-hexen-1-ol acetate
2-hexen-1-ol, acetate
2-hexen-1-yl acetate
2-hexenyl ethanoate
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Articles:
PubMed: Feeding-induced rearrangement of green leaf volatiles reduces moth oviposition.
PubMed: Effect of nine plant volatiles in the field on the sex pheromones of Leguminivora glycinivorella.
PubMed: Defensive roles of (E)-2-alkenals and related compounds in heteroptera.
PubMed: Effects of bagging on volatiles and polyphenols in "Wanmi" peaches during endocarp hardening and final fruit rapid growth stages.
PubMed: Plant volatiles influence electrophysiological and behavioral responses of Lygus hesperus.
PubMed: Fine structure and chemical analysis of the metathoracic scent gland secretion in Graphosoma lineatum (Linnaeus, 1758) (Heteroptera, Pentatomidae).
PubMed: Sex pheromone of the plant bug, Phytocoris calli knight.
PubMed: Defense-inducing volatiles: in search of the active motif.
PubMed: Fine structure and chemical analysis of the metathoracic scent gland of Eurygaster maura (Linnaeus, 1758) (Heteroptera: Scutelleridae).
PubMed: Inter- and intraspecific variation in defensive compounds produced by five neotropical stink bug species (Hemiptera: Pentatomidae).
PubMed: Functional characterization of a melon alcohol acyl-transferase gene family involved in the biosynthesis of ester volatiles. Identification of the crucial role of a threonine residue for enzyme activity*.
PubMed: Behavioral response of Lygus hesperus to conspecifics and headspace volatiles of alfalfa in a Y-tube olfactometer.
PubMed: Defensive chemistry of an aposematic bug, Pachycoris stallii Uhler and volatile compounds of its host plant Croton californicus Muell.-Arg.
PubMed: Pheromones of milkweed bugs (Heteroptera: Lygaeidae) attract wayward plant bugs: Phytocoris mirid sex pheromone.
PubMed: Orientation ofMicroplitis croceipes (Hymenoptera: Braconidae) to green leaf volatiles: Dose-response curves.
PubMed: Alarm pheromone of pentatomid bug,Erthesina fullo Thunberg (Hemiptera: Pentatomidae).
PubMed: Identification of apple volatiles attractive to the apple maggot,Rhagoletis pomonella.
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