(E)-2-octen-1-yl acetate
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IUPAC name :[(E)-oct-2-enyl] acetate
InChI :InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7+
InChIKey :MBRLTLPMVMFRTJ-BQYQJAHWBE
SMILES :CCCCC\C=C\COC(=O)C
cas number :3913-80-2
% from :94.00% to 99.90%
(EINECS) number :223-473-7
fema number :3516
coe number :11906
jecfa number :1367
fl. number :09.276
molar refractivity :50.21 ± 0.3 cm3
parachor :441.9 ± 4.0 cm3
index of refraction :1.439 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.892 ± 0.06 g/cm3
polarizability :19.90 ± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 170.2487200 (IUPAC)
formula :C10 H18 O2
NMR Predictor :Predict
 
 
IUPAC name :oct-2-enyl acetate
InChI :InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3
InChIKey :MBRLTLPMVMFRTJ-UHFFFAOYAS
SMILES :O=C(OC/C=C/CCCCC)C
cas number :2371-13-3
(EINECS) number :219-140-0
molar refractivity :50.21 ± 0.3 cm3
parachor :441.9 ± 4.0 cm3
index of refraction :1.439 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.892 ± 0.06 g/cm3
polarizability :19.90 ± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 170.2487200 (IUPAC)
formula :C10 H18 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9500
fda reg :unspecified
Suppliers :
Bedoukian Research :2-OCTENYL ACETATE (HIGH TRANS)
≥97.0% (sum of isomers), Kosher
Odor:  A fresh, melon, pear, tropical odor with earthy backnotes
Used to impart a fresh apple/pear nuance.
Flavor:  green fatty fruity
Used in pear, melon, apple, watermelon and mushroom flavors.
Penta :trans-2-octenyl acetate
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 aldehydic melon pear tropical earthy
odor description:
Green, fatty and aldehydic with an oily waxy nuance
Mosciano, Gerard P&F 18, No. 4, 51, (1993)
taste description:
at 10.00 ppm.  		Green, fatty and fruity with a fresh nuance
Mosciano, Gerard P&F 18, No. 4, 51, (1993)
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.88200 to 0.88800 @ 25.00 °C.
pounds per gallon - calc. : 7.339 to 7.389
refractive index :1.43100 to 1.43700 @ 20.00 °C.
boiling point : 65.00 °C. @ 5.00 mm Hg
flash point : 185.00  °F.  TCC  ( 85.00 °C. )
logP (o/w) : 3.64
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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-octen-1-yl acetate fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for (E)-2-octen-1-yl acetate flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
WGK Germany :2
 
 
 
 
[(E)-oct-2-enyl] acetate
(EINECS) number :223-473-7
chemidplus :003913802
EPA Substance Registry Services :3913-80-2
 
 
 
oct-2-enyl acetate
(EINECS) number :219-140-0
chemidplus :002371133
EPA Substance Registry Services :2371-13-3
references :
 
[(E)-oct-2-enyl] acetate
fl. number :09.276
jecfa number :1367
pubchem :203974
 
oct-2-enyl acetate
pubchem :679672
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(E)-oct-2-enyl acetate
[(E)-oct-2-enyl] acetate
(E)-2-octen-1-ol acetate
trans-2-octen-1-yl acetate
(E)-2-octenyl acetate
trans-2-octenyl acetate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetyl nonyrylFL/FR
isoamyl butyrateFL/FR
isoamyl isobutyrateFL/FR
 cyclohexyl propionateFL/FR
2,4-decadien-1-alFL
 decanal diethyl acetalFL/FR
3-decen-2-oneFL/FR
 dihydroxyacetophenoneFL
 dodecanalFL/FR
 dodecanal dimethyl acetalFL/FR
 epoxy-2-decenalFL
 ethyl hexanoateFL/FR
 fresh carbaldehydeFR
 furfuryl hexanoateFL
 furfuryl propionateFL
 geranyl oxyacetaldehydeFR
(E)-geranyl oxyacetaldehydeFR
 guaiyl acetateFL/FR
(E,E)-2,4-heptadien-1-alFL/FR
 heptanal cyclic propylene acetalFL/FR
3-heptanoneFL/FR
(Z)-4-hepten-1-alFL/FR
2-hepten-1-alFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
2-heptyl furanFL
 hexanalFL/FR
 hexanal butane-2,3-diol acetalFL
 hexanal octane-1,3-diol acetalFL
(E)-2-hexen-1-alFL/FR
(E)-3-hexen-1-yl acetateFL/FR
 hexyl (E)-2-hexenoateFL
alpha-hexyl cinnamaldehyde dimethyl acetal 
 methyl (E)-2-hexenoateFL
 methyl 2-hexenoateFL/FR
 methyl 2-methyl butyrateFL/FR
(E,Z)-2,6-nonadien-1-alFL/FR
2,4-nonadien-1-alFL
(E,Z)-3,6-nonadien-1-olFL/FR
2,4-nonadien-1-olFL/FR
 nonanalFL/FR
(E)-2-nonen-1-alFL/FR
(Z)-2-nonen-1-olFL/FR
(E,E)-2,4-octadien-1-alFL
 octanalFL/FR
(E)-2-octen-1-alFL/FR
2-octen-1-alFL/FR
 octen-1-yl cyclopentanoneFL/FR
 phenethyl hexanoateFL/FR
 undecanalFL/FR
N-/i-undecanalFR
8-undecen-1-alFR
 waxy aldehydeFR
 waxy undecadienolFR
potential uses :
 apple
 earth humus
 fat
 fresh
 fruit
 melon watermelon muskmelon cantaloupe
 mushroom
 pear
 tallow
 tropical
natural occurrence in :    note
 banana  

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