(E)-2-hepten-1-yl acetate
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IUPAC name :[(E)-hept-2-enyl] acetate
InChI :InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+
InChIKey :AWCPMVVOGVEPRC-VOTSOKGWBQ
SMILES :CCCC\C=C\COC(=O)C
cas number :16939-73-4
% from :95.00% to 99.90%
(EINECS) number :241-002-3
fema number :4125
coe number :10661
jecfa number :1798
fl. number :09.385
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 : 3.00
molecular weight : 156.2221400 (IUPAC)
formula :C9 H16 O2
NMR Predictor :Predict
 
 
IUPAC name :[(Z)-hept-2-enyl] acetate
InChI :InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6-
InChIKey :AWCPMVVOGVEPRC-SREVYHEPBQ
SMILES :CCCC\C=C/COC(C)=O
cas number :16939-73-4  (Z)
% from :0.10% to 5.00%
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 : 3.00
molecular weight : 156.2221400 (IUPAC)
formula :C9 H16 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9500
fda reg :unspecified
Suppliers :
Nanjing :ACETIC ACID TRANS-2-HEPTEN-1-YL ESTER
orders in chinese only.
TCI AMERICA :trans-2-Heptenyl Acetate
>97.0%(GC)
organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		sweet fruity fatty
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.88500 to 0.89100 @ 25.00 °C.
pounds per gallon - calc. : 7.364 to 7.414
refractive index :1.42700 to 1.43300 @ 20.00 °C.
boiling point : 192.00 to 193.00 °C. @ 760.00 mm Hg
vapor pressure :0.51100 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 165.00  °F.  TCC  ( 73.89 °C. )
logP (o/w) : 3.11
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 (E)-2-hepten-1-yl acetate fragrance usage levels up to :
  5.0000 % 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 : 22
 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : 5.0000025.00000
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : 5.0000025.00000
granulated sugar : --
gravies : 20.00000100.00000
hard candy : --
imitation dairy : 7.0000035.00000
instant coffee / tea : --
jams / jellies : 5.0000025.00000
meat products : 2.0000010.00000
milk products : 7.0000035.00000
nut products : --
other grains : 5.0000025.00000
poultry : 2.0000010.00000
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : 10.0000050.00000
soft candy : --
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : 5.0000025.00000
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
[(E)-hept-2-enyl] acetate
(EINECS) number :241-002-3
chemidplus :016939734
EPA Substance Registry Services :16939-73-4
 
[(Z)-hept-2-enyl] acetate
references :
 
[(E)-hept-2-enyl] acetate
fl. number :09.385
jecfa number :1798
NIST Chemistry WebBook :16939734
pubchem :662512
 
[(Z)-hept-2-enyl] acetate
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(E)-hept-2-enyl acetate
trans-hept-2-enyl acetate
[(E)-hept-2-enyl] acetate
 hept-trans-2-en-1-yl acetate
(2E)-2-hepten-1-ol acetate
2-hepten-1-yl acetate
trans-2-hepten-1-yl acetate
(E)-2-heptenyl acetate
trans-2-heptenyl acetate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde methyl hexyl acetalFR
 acetoin butyrateFL
 acetyl butyrylFL/FR
 acetyl methyl anthranilateFL/FR
 allyl benzoateFR
 allyl cyclohexyl hexanoateFL/FR
 allyl tiglateFL
 ambrette seed absoluteFL/FR
delta6-isoambrettolideFL/FR
isoamyl 2-methyl butyrateFL/FR
para-anisyl propanalFR
 artemisyl ketoneFL/FR
 benzyl butyrateFL/FR
 benzyl octanoateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 bisaboleneFL/FR
 blackberry thiophenoneFL/FR
 bornyl valerateFL/FR
 buchu mercaptanFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
isobutyl butyrateFL/FR
 butyl hexanoateFL/FR
isobutyl isovalerateFL/FR
isobutyl undecylenateFL/FR
 butyl valerateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
 campholene acetateFL/FR
alpha-campholenic alcoholFL/FR
 cinnamaldehydeFL/FR
(E)-cinnamaldehydeFL/FR
 coconut absoluteFL/FR
 conifer acetateFL/FR
 cranberry notes 
ortho-cresyl isobutyrateFL/FR
 cyclohexyl acetateFL/FR
 cyclohexyl ethyl acetateFL/FR
beta-damascenoneFL/FR
alpha-damasconeFL/FR
 davana oilFL/FR
9-decenoic acidFL/FR
 decyl propionateFL/FR
 dihydro-alpha-iononeFL/FR
isodihydrolavandulalFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 2-methyl-2-pentenoateFL/FR
 ethyl 3-oxohexanoateFL
2-ethyl butyric acidFL/FR
 ethyl cinnamateFL/FR
 ethyl levulinateFL/FR
 ethyl maltolFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl ortho-anisateFL/FR
 ethyl valerateFL/FR
 filbert hexenoneFL/FR
 fir balsam absoluteFR
 fruity carboxylateFR
 fruity ketalFL/FR
 furfuryl isovalerateFL
(E)-furfurylidene phenyl acetaldehydeFL
 geranyl butyrateFL/FR
 geranyl isovalerateFL/FR
 gooseberry notes 
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl isobutyrateFL/FR
3-heptanoneFL/FR
 herbal undecanoneFR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hyacinth etherFR
beta-iononeFL/FR
beta-ionone epoxideFL/FR
beta-ionyl acetateFL/FR
 juniper berry oleoresinFL/FR
 leather propionateFR
 maltolFL/FR
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
 mango thiolFL/FR
dextro,laevo-menthyl acetateFL/FR
 methyl (E)-cinnamateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl beta-ionolFR
 methyl cinnamateFL/FR
 methyl furfuryl disulfideFL/FR
 methyl heptanoateFL/FR
 methyl propionateFL/FR
3-methyl-2-cyclopenten-1-oneFL
3-(5-methyl-2-furyl) butanalFL
2-methyl-2-pentenoic acidFL/FR
2-methyl-3-pentenoic acidFL/FR
 nerolin fragarolFL/FR
 neryl isobutyrateFL/FR
3-nonen-2-oneFL/FR
(Z)-3-octen-1-olFL/FR
(E)-2-octen-1-yl butyrateFL/FR
3-octen-2-oneFL/FR
(E)-2-octen-4-olFL
 octyl heptanoateFL/FR
 octyl propionateFL/FR
 orris root resinoidFL/FR
 osmanthus absoluteFL/FR
 petal pyranoneFL/FR
 phenethyl butyrateFL/FR
2-phenethyl isothiocyanateFL
 phenethyl pivalateFL/FR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
 pine needle oil dwarfFL/FR
isopropenyl acetateFL/FR
 propyl acetateFL/FR
 propyl formateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 prune glycidateFR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 raspberry notes 
 rose carboxylateFR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 strawberry glycidate 2FL/FR
 strawberry notes 
 styralyl butyrateFL/FR
 tetrahydroionyl acetateFR
 thiogeraniolFL/FR
 toffee furanoneFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical trithianeFL/FR
gamma-undecalactoneFL/FR
 valeraldehyde diethyl acetalFL
isovaleraldehyde diethyl acetalFL/FR
 vanilla carboxylateFL/FR
 wormwood oilFL/FR
potential uses :
 berry
 candy
 fat
 fruit
natural occurrence in :    note
 not found in nature  

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