ethyl 2-octenoate
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IUPAC name :ethyl oct-2-enoate
InChI :InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3
InChIKey :AISZSTYLOVXFII-UHFFFAOYAP
SMILES :CCCCCC=CC(=O)OCC
cas number :2351-90-8
(EINECS) number :219-087-3
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 : 3.70
molecular weight : 170.2487200 (IUPAC)
formula :C10 H18 O2
NMR Predictor :Predict
 
 
IUPAC name :ethyl (E)-oct-2-enoate
InChI :InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+
InChIKey :AISZSTYLOVXFII-CMDGGOBGBU
SMILES :CCCCC\C=C\C(=O)OCC
cas number :7367-82-0
(EINECS) number :230-913-1
fema number :3643
coe number :10617
jecfa number :1812
fl. number :09.285
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 : 3.70
molecular weight : 170.2487200 (IUPAC)
formula :C10 H18 O2
NMR Predictor :Predict
 
 
export tariff code :2916.19.6000
fda reg :unspecified
Suppliers :
Bedoukian Research :ETHYL 2-OCTENOATE
≥97.0% (sum of isomers), Kosher
Odor:  A fruity, pineapple, green odor with fatty waxy undertones
Used in fragrances that require a tropical fruit or pineapple note. Especially useful in candle fragrances.
Flavor:  fruity
Used in tropical fruit and liqueur flavors.
Fontarome :ETHYL T2 OCTENOATE
Odor:  Fruity, pear-like note
Penta :ethyl-trans-2-octenoate
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		fruity green waxy tropical
taste description:
fruity green pineapple juicy tropical
substantivity :7 hour(s) at 100.00 %
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88300 to 0.89100 @ 25.00 °C.
pounds per gallon - calc. : 7.347 to 7.414
refractive index :1.43500 to 1.44200 @ 20.00 °C.
boiling point : 57.00 to 62.00 °C. @ 1.40 mm Hg
boiling point : 94.00 °C. @ 30.00 mm Hg
vapor density :>1 ( Air = 1 )
flash point : 193.00  °F.  TCC  ( 89.44 °C. )
logP (o/w) : 3.97
safety :
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 ethyl 2-octenoate fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for ethyl 2-octenoate flavor usage levels up to :
  30.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
ethyl oct-2-enoate
(EINECS) number :219-087-3
chemidplus :002351908
EPA Substance Registry Services :2351-90-8
 
 
 
ethyl (E)-oct-2-enoate
(EINECS) number :230-913-1
chemidplus :007367820
EPA Substance Registry Services :7367-82-0
references :
 
ethyl oct-2-enoate
NIST Chemistry WebBook :474752363
pubchem :679667
Flavornet :2351-90-8
 
ethyl (E)-oct-2-enoate
fl. number :09.285
jecfa number :1812
NIST Chemistry WebBook :3384678351
pubchem :166368
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 ethyl oct-2-enoate
2-octenoic acid ethyl ester
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl heptanoateFL/FR
 allyl nonanoateFL/FR
 allyl octanoateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
isoamyl isobutyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 buchu mercaptanFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cassis pentanoneFL/FR
 cherry pentenoateFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFR
3-decanoneFL/FR
(Z)-4-decen-1-olFL/FR
 decyl butyrateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3-octenoateFL
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl decanoateFL/FR
 ethyl palmitateFL/FR
 ethyl undecylenateFL/FR
 furfuryl propionateFL
1-furfuryl pyrroleFL/FR
(E)-geranyl acetoneFL/FR
 geranyl hexanoateFL/FR
 geranyl methyl tiglate 
 heptanal cyclic ethylene acetalFR
 heptanal dimethyl acetalFL/FR
2-heptanolFL/FR
3-hexanoneFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 jasmin absoluteFL/FR
 maltyl isobutyrateFL/FR
 mango thiolFL/FR
 melon valerateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-undecynoateFL
 methyl 2,4-decadienoateFL/FR
 methyl butyl phenyl acetateFL/FR
 methyl citronellateFL/FR
 methyl heptanoateFL/FR
 methyl nonanoateFL
 methyl R-3-acetoxyhexanoate 
 methyl thiomethyl butyrateFL
 methyl undecanoateFL/FR
2-methyl valeraldehydeFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
 nerolidyl isobutyrateFR
(E)-2-nonen-1-yl acetateFL/FR
 nonyl acetateFL/FR
beta-ocimeneFL/FR
(E,E)-3,5-octadien-2-oneFL
(E)-2-octen-1-yl acetateFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 passiflora acetateFL/FR
1-penten-3-olFL/FR
2-pentyl furanFL/FR
 phenethyl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
 phytyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
 propylene acetalFL/FR
 rhubarb undecaneFR
 rose butanoateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 timber dioxolaneFR
(E)-2-tridecen-1-yl acetateFL/FR
 tropical 3-thiobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical oxathianeFL/FR
 tropical thiazoleFL/FR
2-undecanoneFL/FR
 violet dienyneFR
 viridiflorolFL/FR
potential uses :
 apple
 citrus
 fruit
 kiwi
 pear
 strawberry
 tropical
natural occurrence in :    note
 grapefruit juice  
 pear  
 soursop  

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