(Z)-3-hexen-1-yl acetate
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Notes :
Green and fruity notes.
 
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IUPAC name :[(Z)-hex-3-enyl] acetate
InChI :InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKey :NPFVOOAXDOBMCE-PLNGDYQABN
SMILES :CC\C=C/CCOC(=O)C
cas number :3681-71-8
% from :98.00% to 99.90%
(EINECS) number :222-960-1
beilstein number :1721854
fema number :3171
coe number :644
jecfa number :134
fl. number :09.197
molar refractivity :40.94 ± 0.3 cm3
parachor :362.3 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :27.8 ± 3.0 dyne/cm
density :0.901 ± 0.06 g/cm3
polarizability :16.23 ± 0.5 10-24cm3
XlogP : 2.20
molecular weight : 142.1955600 (IUPAC)
formula :C8 H14 O2
pherobase floral:view
NMR Predictor :Predict
 
 
IUPAC name :[(E)-hex-2-enyl] acetate
InChI :InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKey :HRHOWZHRCRZVCU-AATRIKPKBY
SMILES :CCC\C=C\COC(=O)C
cas number :2497-18-9
% from :0.10% to 2.00%
(EINECS) number :219-680-7
beilstein number :1721851
fema number :2564
coe number :643
jecfa number :1355
fl. number :09.394
molar refractivity :40.94 ± 0.3 cm3
parachor :362.3 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :27.8 ± 3.0 dyne/cm
density :0.901 ± 0.06 g/cm3
polarizability :16.23 ± 0.5 10-24cm3
XlogP : 2.40
molecular weight : 142.1955600 (IUPAC)
formula :C8 H14 O2
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2915.39.9500
fda reg :unspecified
Suppliers :
Advanced Biotech :cis-3-hexenyl acetate
95% min. natural
Advanced Biotech :leaf acetate
75% min. natural
Apple :cis-3-Hexenyl acetate
AROMOR :(Z)-3-HEXEN-1-YL ACETATE
NATURE-IDENTICAL (KOSHER)
Odor:  INTENSELY GREEN, SHARP ODOR OF FRESH CUT GREEN GRASS. REMINISCENT OF UNRIPE BANANA PEEL UPON DILUTION
Bedoukian Research :cis-3-HEXENYL ACETATE
≥98.0% (cis), FCC, Kosher
Odor:  Sharp fruity-green, sweet, green banana-like
Adds natural freshness to delicate florals (Muguet, Narcisse, Lilac, etc); also provides green topnotes to other fragrance types.
Flavor:  green
Can be used in pear, apple, banana, cantaloupe, strawberry, peach, melon.
Berje :cis-3-Hexenyl Acetate
Cargill :cis-3-HEXENYL ACETATE FLAVOR
natural, Kosher
Odor:  Powerful, Green, Fruity
Charabot :hexenyl cis-3-acetate
Citrus and Allied Essences :cis-3-Hexenyl Acetate
98% (natural)
Citrus and Allied Essences :cis-3-Hexenyl Acetate
FCC
Fleurchem :cis-3-hexenyl acetate
natural
Fontarome :C3-HEXENYL ACETATE
Odor:  Green note with a fruity, fresh lift
Frutarom :cis-3-HEXEN-1-YL ACETATE
≥98.00% (sum of isomers), NI, Kosher
Odor:  Floral, Fresh, Fruity, Green, Powerful, Sweet
Suggested Uses: Alcoholic Beverages, Dairy Products, Hard Fruits, Mango, Peach, Pear, Soft Fruits, Tea
IFF :Verdural Extra
≥95%
Odor:  Green, Fruity, Grass
Green and floral top note. Especially powerful.
Inoue :CIS-3-HEXENYL ACETATE
John D. Walsh :Cis-3-Hexenyl Acetate
(Leaf Acetate)
Mane :cis-3-hexenyl acetate
Moellhausen :cis-3-hexenyl acetate
98% min. nature identical kosher
Mooreganics :Cis-3-Hexenyl Acetate
Natural (Organic Compliant)
Odor:  SHARP FRUITY GREEN, SWEET, GREEN BANANA-LIKE
Penta :cis-3-hexenyl acetate
Penta :cis-3-hexenyl acetate
natural
Robertet :Hexenyl cis-3 acetate
naturel
SAFC Global® :cis-3-Hexenyl acetate
≥98%, FCC, Kosher, FG
Odor:  banana; green; vegetable
SAFC Global® :cis-3-Hexenyl acetate
natural, Kosher
Odor:  banana; green; vegetable
Vigon :Hexenyl cis-3 Acetate Leaf Acetate
FCC
Vigon :Hexenyl cis-3 Acetate Leaf Acetate
Natural
organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		fresh green sweet fruity banana apple grassy
Luebke, William tgsc, (1993)
odor sample from :Bedoukian Research, Inc.
odor description:
Fresh green sweet fruity with apple, pear and melon nuances
Mosciano, Gerard P&F 14, No. 6, 47, (1989)
taste description:
at 10.00 ppm.  		Green fruity apple and pear, with fresh tropical nuances
Mosciano, Gerard P&F 14, No. 6, 47, (1989)
substantivity :4  Hour(s)
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
specific gravity :0.89600 to 0.90400 @ 25.00 °C.
pounds per gallon - calc. : 7.456 to 7.522
specific gravity :0.89700 to 0.90500 @ 20.00 °C.
pounds per gallon - calc. : 7.473 to 7.539
refractive index :1.42300 to 1.42800 @ 20.00 °C.
boiling point : 75.00 to 76.00 °C. @ 23.00 mm Hg
boiling point : 165.00 to 167.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :2.00000 mm/Hg @ 20.00 °C.
vapor density :4.8 ( Air = 1 )
flash point : 135.00  °F.  TCC  ( 57.22 °C. )
logP (o/w) : 2.42
shelf life : 18.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
Human experience : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Wohl,1974)

Oral-Rat    5000.00  mg/kg
(Sauer & Robbins, 1979)

Oral-Rabbit    4750.00  mg/kg
(Munch, 1972)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
FCTXAV  13,454,1975

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :640.00 (μg/capita/day)
 
recommendation for (Z)-3-hexen-1-yl acetate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for (Z)-3-hexen-1-yl acetate flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3272
 
WGK Germany :2
 
 
 
 
[(Z)-hex-3-enyl] acetate
(EINECS) number :222-960-1
RTECS :MP8425050 for cas# 3681-71-8
chemidplus :003681718
EPA Substance Registry Services :3681-71-8
 
 
 
[(E)-hex-2-enyl] acetate
(EINECS) number :219-680-7
RTECS :MP8425000 for cas# 2497-18-9
chemidplus :2497-18-9
EPA Substance Registry Services :2497-18-9
references :
 
[(Z)-hex-3-enyl] acetate
fl. number :09.197
jecfa number :134
NIST Chemistry WebBook :3474728773
pubchem :162279
Flavornet :3681-71-8
 
[(E)-hex-2-enyl] acetate
fl. number :09.394
jecfa number :1355
NIST Chemistry WebBook :784210774
pubchem :10515529
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(Z)-hex-3-enyl acetate
[(Z)-hex-3-enyl] acetate
(Z)-3-hexen-1-ol acetate
(Z)-3-hexen-1-yl acetate
cis-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl ethanoate
cis-3-hexen-1-yl ethanoate
(Z)-3-hexenyl acetate
cis-3-hexenyl acetate
 leaf acetate
 verdural extra
soluble in :
 alcohol
 paraffin oil, slightly
 propylene glycol
 water, 0.9 g/L @ 20C
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 shampoo
 soap
potential blenders :    note
 acetaldehyde methyl hexyl acetalFR
6-acetoxydihydrotheaspiraneFL/FR
 algae absoluteFR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl nonanoateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl acetateFL/FR
isoamyl acetoacetateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl heptanoateFL/FR
 amyl hexanoateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl isovalerateFL/FR
isoamyl laurateFL/FR
 amyl octanoateFL/FR
isoamyl octanoateFL/FR
isoamyl tiglateFL/FR
isoamyl valerateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
para-anisyl acetateFL/FR
 apple crotonateFR
 apple ketalFL/FR
 benzaldehydeFL/FR
 benzaldehyde dimethyl acetalFL/FR
 benzyl acetateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
 boronia absoluteFL/FR
isobutyl acetoacetateFL/FR
isobutyl alcoholFL
 butyl angelateFL/FR
 butyl anthranilateFL/FR
 butyl heptanoateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
isobutyl propionateFL/FR
 butyl undecylenateFL/FR
isobutyraldehyde propylene glycol acetalFL
(E)-carveolFL/FR
laevo-carveolFL/FR
laevo-carvoneFL/FR
(Z)-carvone-5,6-oxideFL/FR
 carvyl acetateFL/FR
 cherry pentenoateFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 clary sage concreteFL/FR
 clary sage oilFL/FR
 cognac oil greenFL/FR
 cognac oil whiteFL/FR
beta-cyclocitralFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl ethyl alcoholFL/FR
 cyclohexyl isovalerateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
alpha-decalactoneFR
3-decen-2-oneFL/FR
 diethyl 1-malateFL
 diethyl laevo-tartrateFL
 diethyl malateFL
 diethyl malonateFL/FR
 diethyl sebacateFL/FR
 dihydrocarveolFL/FR
dextro-dihydrocarvoneFL/FR
 dihydromyrcenolFL/FR
 dill seed oilFL
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl succinateFL/FR
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-4-octenoateFL/FR
 ethyl (Z)-3-hexenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl aconitateFL
 ethyl chrysanthemateFR
 ethyl cinnamateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl decanoateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl maltolFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 ethyl valerateFL/FR
2-ethyl-4-butanolFL/FR
 farnesyl acetoneFL/FR
 fruity ketalFL/FR
 furfuryl propionateFL
 geranyl acetateFL/FR
 geranyl acetoacetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isovalerateFL/FR
 geranyl methyl ethyl acetateFL/FR
 grapefruit menthaneFL/FR
 grapefruit oilFL/FR
 grapefruit pentanolFR
 green acetateFR
 heptanalFL/FR
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
 heptyl 2-methyl butyrateFL
 heptyl acetateFL/FR
 hexanal diethyl acetalFL/FR
2-hexanolFL/FR
(E)-2-hexen-1-alFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
(Z)-3-hexen-1-al diethyl acetalFL/FR
2-hexen-1-al diethyl acetalFL
(E)-2-hexen-1-al dimethyl acetalFL
(Z)-3-hexen-1-al dimethyl acetal 
(Z)-3-hexen-1-olFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
2-hexen-1-yl cyclopentanyl acetateFR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl 2-furoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 hexyl propionateFL/FR
 hexyl tiglateFL/FR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl hexanoateFL/FR
 marine formateFR
 melon nonenoateFL/FR
 melon octenoateFL/FR
 melon valerateFL/FR
(Z+E)-para-1(7)8-menthadien-2-yl acetateFL
3-mercaptohexyl acetateFL
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-methyl valerateFL/FR
 methyl 2-undecynoateFL
 methyl 2,4-decadienoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl butyrateFL
 methyl citronellateFL/FR
 methyl decanoateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptanoateFL/FR
 methyl heptine carbonateFL/FR
 methyl hydrocinnamateFL/FR
 methyl isovalerateFL/FR
 methyl nonanoateFL
 methyl octenoateFL/FR
 methyl octine carbonateFL/FR
 methyl R-3-acetoxyhexanoate 
2-methyl valeraldehydeFL
 methyl valerateFL/FR
2-methyl-1-butanolFL/FR
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
 mint lactoneFL/FR
 musk propanoateFR
 nerolidyl isobutyrateFR
 neryl acetateFL/FR
(E,Z)-2,6-nonadien-1-alFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
 nonanalFL/FR
 nonanolFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
 nonyl isovalerateFL/FR
(E,E)-2,4-octadien-1-alFL
2,4-octadien-1-alFL
(E,E)-3,5-octadien-2-oneFL
 octanalFL/FR
 octen-1-yl cyclopentanoneFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 octyl 2-methyl butyrateFL/FR
 opoponax oilFL/FR
 opoponax resinoidFR
 passiflora acetateFL/FR
 pear valerateFR
2-pentanoneFL/FR
(E)-2-penten-1-alFL/FR
2-pentyl furanFL/FR
 peony alcoholFR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
 phenethyl senecioateFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
 propionaldehydeFL
isopropyl 2-methyl butyrateFL/FR
 propyl 2,4-decadienoateFL/FR
 propyl acetateFL/FR
 propyl heptanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propylene acetalFL/FR
 rhubarb undecaneFR
 rose butanoateFL/FR
 sorbyl butyrateFL/FR
 sorbyl isobutyrateFL/FR
 sorbyl propionateFL/FR
 spearmint absoluteFL/FR
 spearmint oilFL/FR
 spearmint oil terpenelessFL/FR
 spruce oilFL/FR
 styralyl acetateFL/FR
 tagete oil indiaFL/FR
alpha-terpineolFL/FR
 terpinyl cinnamateFL/FR
 tetrahydrocarvoneFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tetrahydromyrcenolFR
 timber dioxolaneFR
(E)-2-tridecen-1-yl acetateFL/FR
 tropical indeneFR
 tropical thiazoleFL/FR
gamma-undecalactoneFL/FR
 violet dienyneFR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody amyleneFR
potential uses :
 agrumen
 aldehydic
 angel
 apple blossom
 apple crabapple
 apple green apple
 apple red apple
 ash mountain ash
 banana
 bark
 blueberry
 blueberry whortleberry red whortleberry
 boronia
 bouquet
 boxwood
 boysenberry
 briar sweet briar eglantine
 butterscotch
 candy
 cassie acacia farnesiana
 cassis black currant bud
 clematis
 cognac
 crabapple blossom
 cream ice cream
 dillenia
 diorissimo
 durian
 exotic
 fern fougere
 fetes
 fig
 florida breeze
 fresh
 fruit
 gooseberry
 grape
 grass green grass
 guava
 herbal
 hibiscus
 hollyberry
 huckleberry bilberry
 hugonia
 hyacinth jacinthe
 hydrangea
 iris blossom
 jackfruit
 jasmin
 kewda
 kiwi
 kiwi blossom
 licorice
 lilac lilas syringa
 lily
 loganberry dewberry
 lotus
 lychee soapberry
 magnolia
 mango
 mango blossom
 melon
 melon watermelon muskmelon cantaloupe
 mimosa wattle
 muguet lily of the valley
 narcissus narcisse
 natural
 ocean sea
 orchid
 pansy
 passion blossom
 passion fruit
 peach
 peach blossom
 pear
 pear blossom
 petunia
 pine scotch pine
 pineapple
 plum
 plum blossom
 plum mirabille blossom
 quince
 raspberry
 reseda mignonette
 rhubarb
 rose wild rose
 spearmint
 starfruit
 strawberry
 sweet pea pois de senteur
 tea
 tea black tea
 topnotes
 tropical
 tulip
 valerian
 violet
 wintergreen
natural occurrence in :    note
 apple  
 bilberry S
data pagechamomile flower oil germany @ trace% S
data pagechampaca concrete @ 0.01% S
data pagechampaca concrete @ trace% S
data pagecornmint oil india @ 0.04% S
 guava S
data pageguava fruit headspace reunion @ 1.30% S
data pageguava fruit oil reunion @ 0.50% S
data pageguava leaf oil cuba @ trace% S
data pagehelichrysum italicum oil america @ 0.05% S
data pagejasmin sambac absolute egypt @ 0.14% S
 melon  
 passion fruit S
 peach  
 pear  
data pagepine needle oil dwarf @ trace% S
 raspberry  
 strawberry S
 tea  
 tobacco virginia tobacco S
 tomato  
 wine  
data pageylang ylang oil @ 0.16% S
data pageylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.02% S


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