(Z)-3-hepten-1-yl acetate
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IUPAC name :[(Z)-hept-3-enyl] acetate
InChI :InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKey :AAYIYWGTGAUKQY-WAYWQWQTBG
SMILES :CC(=O)OCC/C=C\CCC
cas number :1576-78-9
(EINECS) number :216-412-0
molar refractivity :45.57 ± 0.3 cm3
parachor :402.1 ± 4.0 cm3
index of refraction :1.436 ± 0.02
surface tension :28.4 ± 3.0 dyne/cm
density :0.896 ± 0.06 g/cm3
polarizability :18.06 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 156.2221400 (IUPAC)
formula :C9 H16 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9500
fda reg :unspecified
Suppliers :
Bedoukian Research :VIOLANA
≥95.0%, Kosher
Odor:  A green 'natural' banana odor, oak moss, earthy
For fruity and oak moss compositions.
organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		green tropical banana vegetable fatty
Luebke, William tgsc, (2009)
odor sample from :Bedoukian Research, Inc.
substantivity :2 hour(s) at 100.00 %
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88300 to 0.90300 @ 25.00 °C.
pounds per gallon - calc. : 7.347 to 7.514
refractive index :1.42700 to 1.43700 @ 20.00 °C.
boiling point : 196.00 to 197.00 °C. @ 760.00 mm Hg
vapor pressure :0.40400 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 160.00  °F.  TCC  ( 71.11 °C. )
logP (o/w) : 2.95
safety :
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.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for (Z)-3-hepten-1-yl acetate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
[(Z)-hept-3-enyl] acetate
(EINECS) number :216-412-0
chemidplus :001576789
EPA Substance Registry Services :1576-78-9
references :
 
[(Z)-hept-3-enyl] acetate
NIST Chemistry WebBook :1576789
pubchem :216329
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
synonyms :
(Z)-hept-3-enyl acetate
[(Z)-hept-3-enyl] acetate
(Z)-3-hepten-1-ol acetate
(Z)-3-hepten-1-yl acetate
cis-3-hepten-1-yl acetate
(Z)-3-heptenyl acetate
cis-3-heptenyl acetate
 violana
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl octanoateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl heptanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E)-2-octenoateFL
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl hexanoateFL/FR
 furfuryl propionateFL
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
(E)-2-hexen-1-alFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(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
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl acetateFL/FR
 hexyl octanoateFL/FR
 mango thiolFL/FR
 melon valerateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-undecynoateFL
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
2-methyl valeraldehydeFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
 nerolidyl isobutyrateFR
 nonyl acetateFL/FR
beta-ocimeneFL/FR
(E,E)-3,5-octadien-2-oneFL
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
2-pentyl furanFL/FR
 phenethyl hexanoateFL/FR
 phenoxyethyl isobutyrateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
 rhubarb undecaneFR
 rose butanoateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 timber dioxolaneFR
 tropical indeneFR
 tropical oxathianeFL/FR
 tropical thiazoleFL/FR
 violet dienyneFR
potential uses :
 banana
 fern fougere
 floral
 fruit
 green
 herbal
 hyacinth jacinthe
 hydrangea
 lilac lilas syringa
 magnolia
 natural
natural occurrence in :    note
 found in nature  

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