(Z)-3-hexen-1-yl (Z)-3-hexenoate
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IUPAC name :[(Z)-hex-3-enyl] (Z)-hex-3-enoate
InChI :InChI=1/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6-
InChIKey :UZJQQWFHPLYECS-SFECMWDFBB
SMILES :CC\C=C/CCOC(=O)C\C=C/CC
cas number :61444-38-0
% from :96.00% to 99.90%
(EINECS) number :262-797-3
fema number :3689
jecfa number :336
fl. number :09.291
molar refractivity :59.53 ± 0.3 cm3
parachor :508.7 ± 4.0 cm3
index of refraction :1.460 ± 0.02
surface tension :30.0 ± 3.0 dyne/cm
density :0.903 ± 0.06 g/cm3
polarizability :23.60 ± 0.5 10-24cm3
XlogP : 3.80
molecular weight : 196.2860000 (IUPAC)
formula :C12 H20 O2
NMR Predictor :Predict
 
 
export tariff code :2916.19.6000
fda reg :unspecified
Suppliers :
Apple :cis-3-Hexenyl cis-3-hexenoate
Bedoukian Research :cis-3-HEXENYL CIS-3-HEXENOATE (NATURAL)
≥96.0% (cis,cis), Kosher
Odor:  Fresh, ethereal, meaty part of the pear, green, fruity
Bedoukian Research :cis-3-HEXENYL CIS-3-HEXENOATE
≥96.0% (cis,cis), Kosher
Odor:  A pear, melon, vegetable-like odor with natural connotations
Can be used for 'natural' topnotes in fragrance compositions.
Flavor:  green
Can be used in watermelon, pear, vegetable, peach, olive and apple flavors. Can also be used for its 'natural' note.
Fontarome :C3-HEXENYL C3 HEXENOATE
Odor:  Green tomato leaf
Penta :cis-3-hexenyl cis-3-hexenoate
SAFC Global® :cis-3-Hexenyl cis-3-hexenoate
≥94%, Kosher
Odor:  melon
organoleptics :
odor type :green
odor strength :medium
odor description:
at 100.00 %.  		green tomato leaf pear melon metallic fennel tropical
Luebke, William tgsc, (2009)
odor sample from :Bedoukian Research, Inc.
substantivity :13 hour(s) at 100.00 %
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.86500 to 0.90200 @ 25.00 °C.
pounds per gallon - calc. : 7.198 to 7.506
refractive index :1.44700 to 1.45500 @ 20.00 °C.
boiling point : 60.00 °C. @ 0.50 mm Hg
boiling point : 112.00 °C. @ 12.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.01000 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 210.00  °F.  TCC  ( 98.89 °C. )
logP (o/w) : 4.30
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
Maximised Survey-derived Daily Intakes (MSDI-EU) :3.20 (μg/capita/day)
 
recommendation for (Z)-3-hexen-1-yl (Z)-3-hexenoate fragrance usage levels up to :
  12.0000 % in the fragrance concentrate.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
[(Z)-hex-3-enyl] (Z)-hex-3-enoate
(EINECS) number :262-797-3
chemidplus :061444380
EPA Substance Registry Services :61444-38-0
references :
 
[(Z)-hex-3-enyl] (Z)-hex-3-enoate
fl. number :09.291
jecfa number :336
pubchem :198721
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(Z)-hex-3-enyl (Z)-hex-3-enoate
cis-hex-3-enyl cis-hex-3-enoate
[(Z)-hex-3-enyl] (Z)-hex-3-enoate
(Z)-3-hexen-1-yl (Z)-3-hexenoate
cis-3-hexen-1-yl cis-3-hexenoate
(3Z)-3-hexenoic acid (3Z)-3-hexenyl ester
(Z,Z)-3-hexenoic acid 3-hexenyl ester
(Z)-3-hexenyl (Z)-3-hexenoate
cis-3-hexenyl cis-3-hexenoate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde methyl hexyl acetalFR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
 apple crotonateFR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
(E)-carveolFL/FR
laevo-carveolFL/FR
laevo-carvoneFL/FR
(Z)-carvone-5,6-oxideFL/FR
 carvyl acetateFL/FR
 cinnamyl isovalerateFL/FR
 costus root absoluteFL
 costus root oilFL
 costus root resinoidFL
(E,E)-2,4-decadien-1-alFL
2,4-decadien-1-olFL/FR
 diethyl sebacateFL/FR
 dihydrocarveolFL/FR
dextro-dihydrocarvoneFL/FR
 dill seed oilFL
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
(E,Z)-2,6-dodecadien-1-alFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-4-octenoateFL/FR
 ethyl (Z)-3-hexenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl cyclohexane propionateFL/FR
 ethyl octanoateFL/FR
 green heptenalFR
(Z)-3-hepten-1-olFL/FR
 heptyl acetateFL/FR
 hexanal diethyl acetalFL/FR
3-hexen-1-alFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
2-hexen-1-yl cyclopentanyl acetateFR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl 2-butenoateFL/FR
 hexyl 2-furoateFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hexyl isobutyrateFL/FR
 hexyl propionateFL/FR
2'-hydroxyacetophenoneFL/FR
 leaf acetalFL/FR
 linalyl hexanoateFL/FR
 melon acetalFL/FR
 melon carboxaldehydeFR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 melon octenoateFL/FR
 melon valerateFL/FR
(Z+E)-para-1(7)8-menthadien-2-yl acetateFL
3-mercaptohexyl acetateFL
 methoxycitronellalFR
 methoxymelonalFR
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2,4-decadienoateFL/FR
 methyl nonanoateFL
 methyl octenoateFL/FR
 methyl octine carbonateFL/FR
para-methyl phenoxyacetaldehydeFR
1-methyl thio-2-propanoneFL
 mint lactoneFL/FR
 muguet carbaldehydeFR
 musk propanoateFR
 nerolidyl isobutyrateFR
(E,E)-2,6-nonadien-1-alFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
2,4-nonadien-1-olFL/FR
3,6-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(Z)-6-nonen-1-alFL/FR
(E)-2-nonen-1-olFL/FR
(Z)-2-nonen-1-olFL/FR
(Z)-3-nonen-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
2-nonyn-1-al dimethyl acetalFR
(E,E)-2,4-octadien-1-alFL
2,4-octadien-1-alFL
3-octanolFL/FR
(Z)-3-octen-1-olFL/FR
(Z)-5-octen-1-olFL/FR
(Z)-3-octen-1-yl propionateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
3-octen-2-olFL/FR
 pear notes 
 pear valerateFR
 propyl 2,4-decadienoateFL/FR
 propyl acetateFL/FR
 propyl heptanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl isobutyrateFL/FR
 propyl nonanoateFL/FR
 sorbyl isobutyrateFL/FR
 spearmint absoluteFL/FR
 spearmint oilFL/FR
 spearmint oil terpenelessFL/FR
 tetrahydrocarvoneFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
 tropical indeneFR
 violet dienyneFR
 violet nitrileFR
 watermelon ketoneFR
potential uses :
 apple
 fruit
 green
 kiwi
 mango
 melon watermelon muskmelon cantaloupe
 natural
 pear
 strawberry
 tobacco
 tomato
 violet
natural occurrence in :    note
 found in nature  

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