(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
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.

organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
green tropical banana vegetable fatty
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 :
 
recommendation for (Z)-3-hepten-1-yl acetate 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 :
reference : Luebke, William tgsc, (2009)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(Z)-hept-3-enyl acetate
[(Z)-hept-3-enyl] acetate
(Z)-3-hepten-1-ol acetate
cis-3-hepten-1-yl acetate
(Z)-3-heptenyl acetate
cis-3-heptenyl acetate
 violana

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl amyl glycolate
 allyl butyrate
 allyl octanoate
isoamyl benzoate
isoamyl butyrate
isoamyl formate
isoamyl heptanoate
isoamyl isobutyrate
isoamyl isovalerate
isoamyl octanoate
 butyl isobutyrate
isobutyl propionate
 cherry pentenoate
beta-cyclocitral
2-cyclopentyl cyclopentanone
alpha-decalactone
 diethyl malonate
 dimethyl succinate
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-octenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl hexanoate
 furfuryl propionate
 heptanal cyclic ethylene acetal
2-heptanol
(Z)-3-hepten-1-yl acetate
(E)-2-hexen-1-al
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(E)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl octanoate
 mango thiol
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-(methyl thio) butyrate
 methyl 2-undecynoate
2-methyl butyl 2-methyl butyrate
 methyl heptanoate
2-methyl valeraldehyde
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 nerolidyl isobutyrate
 nonyl acetate
beta-ocimene
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl butyrate
2-pentyl furan
 phenethyl hexanoate
 phenoxyethyl isobutyrate
 pineapple pentenoate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
 propyl hexanoate
 rhubarb undecane
 rose butanoate
 tetrahydrofurfuryl butyrate
 timber dioxolane
 tropical indene
 tropical oxathiane
 tropical thiazole
 violet dienyne

(odor and/or flavor) used in :
 banana
 fern fougere
 floral
 fruit
 green
 herbal
 hyacinth jacinthe
 hydrangea
 lilac lilas syringa
 magnolia
 natural

natural occurrence in :
found in nature



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