(Z)-6-nonen-1-yl acetate
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IUPAC name :[(Z)-non-6-enyl] acetate
InChI :InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5H,3,6-10H2,1-2H3/b5-4-
InChIKey :DFRXMRZQBMFKMI-PLNGDYQABQ
SMILES :CC\C=C/CCCCCOC(=O)C
cas number :76238-22-7
(EINECS) number :278-397-7
fema number :4554
fl. number :09.673
molar refractivity :54.84 ± 0.3 cm3
parachor :481.7 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :29.2 ± 3.0 dyne/cm
density :0.889 ± 0.06 g/cm3
polarizability :21.74 ± 0.5 10-24cm3
XlogP : 3.90
XlogP3-AA : 3.10
molecular weight : 184.2753000 (IUPAC)
formula :C11 H20 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9500
fda reg :unspecified
Suppliers :
Bedoukian Research :cis-6-NONENYL ACETATE
≥94.0%, Kosher
Odor:  melon pear-like
Useful in melon and pear compositions.
Flavor:  green
Floral, pea-like flavor. Would be a good addition to teas.
TCI AMERICA :cis-6-Nonenyl Acetate
>92.0%(GC)
organoleptics :
odor type :melon
odor strength :medium
odor description:
at 100.00 %.  		melon pear
properties :
appearence :colorless to pale yellow clear liquid
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87000 to 0.89000 @ 25.00 °C.
pounds per gallon - calc. : 7.239 to 7.406
refractive index :1.43000 to 1.45000 @ 20.00 °C.
boiling point : 245.00 to 246.00 °C. @ 760.00 mm Hg
boiling point : 62.00 °C. @ 0.10 mm Hg
vapor pressure :0.12900 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.91
shelf life : 36.00 month(s) or longer if stored properly.
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) :0.12 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3724 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
 
recommendation for (Z)-6-nonen-1-yl acetate fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 24
 average usual ppmaverage maximum ppm
baked goods : 1.000005.00000
beverages(nonalcoholic) : 1.000005.00000
beverages(alcoholic) : 2.0000010.00000
breakfast cereal : 1.000005.00000
cheese : 1.0000010.00000
chewing gum : 5.0000020.00000
condiments / relishes : 1.0000010.00000
confectionery froastings : 1.000005.00000
egg products : --
fats / oils : -0.10000
fish products : --
frozen dairy : 1.000005.00000
fruit ices : -0.10000
gelatins / puddings : 1.000005.00000
granulated sugar : --
gravies : --
hard candy : 2.000005.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : -0.10000
meat products : 1.000005.00000
milk products : -0.10000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : 1.0000010.00000
reconstituted vegetables : 1.0000010.00000
seasonings / flavors : 2.00000100.00000
snack foods : 2.0000010.00000
soft candy : 2.000005.00000
soups : 1.0000010.00000
sugar substitutes : --
sweet sauces : 1.000005.00000
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : --
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000
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
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
[(Z)-non-6-enyl] acetate
(EINECS) number :278-397-7
chemidplus :076238227
EPA Substance Registry Services :76238-22-7
references :
 
[(Z)-non-6-enyl] acetate
fl. number :09.673
NIST Chemistry WebBook :76238227
pubchem :10330558
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(Z)-non-6-enyl acetate
cis-non-6-enyl acetate
(Z)-non-6-enyl ethanoate
[(Z)-non-6-enyl] acetate
(Z)-6-nonen-1-yl acetate
cis-6-nonen-1-yl acetate
(Z)-6-nonenyl acetate
cis-6-nonenyl acetate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde methyl hexyl acetalFR
 acetoneCS
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
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/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
 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
(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
(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
 watermelon ketoneFR
potential uses :
 mango
 melon
 melon honeydew
 melon watermelon
 melon watermelon muskmelon cantaloupe
 pear
 pear bartlett pear
 pear blossom
 pear brandy
 pear emperor pear
 spearmint
 starfruit
natural occurrence in :    note
data pagechampaca concrete @ 0.01% S

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