ethyl (E)-4-octenoate
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IUPAC name :ethyl (E)-oct-4-enoate
InChI :InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChIKey :WRUZCQAJIHSQPL-VOTSOKGWBO
SMILES :CCC\C=C\CCC(=O)OCC
cas number :78989-37-4
(EINECS) number :279-035-0
fl. number :09.378
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 : 3.20
molecular weight : 170.2487200 (IUPAC)
formula :C10 H18 O2
NMR Predictor :Predict
 
 
IUPAC name :ethyl oct-4-enoate
InChI :InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3
InChIKey :WRUZCQAJIHSQPL-UHFFFAOYAZ
SMILES :CCOC(=O)CC/C=C/CCC
cas number :1732-00-9
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 : 3.20
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 4-OCTENOATE (TRANS)
≥98.0%, Kosher
Odor:  A fruity pear-like note with slight citrus connotations
Used in fruity and citrus compositions.
Penta :ethyl trans-4-octenoate
SAFC Global® :Ethyl trans-4-octenoate
Kosher
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		fruity pear citrus
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87800 to 0.88400 @ 25.00 °C.
pounds per gallon - calc. : 7.306 to 7.356
refractive index :1.43000 to 1.43700 @ 20.00 °C.
boiling point : 105.00 °C. @ 11.00 mm Hg
vapor pressure :0.15600 mm/Hg @ 25.00 °C.
flash point : 175.00  °F.  TCC  ( 79.44 °C. )
logP (o/w) : 3.57
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 ethyl (E)-4-octenoate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
ethyl (E)-oct-4-enoate
(EINECS) number :279-035-0
chemidplus :078989374
EPA Substance Registry Services :78989-37-4
 
 
 
ethyl oct-4-enoate
chemidplus :1732-00-9
EPA Substance Registry Services :1732-00-9
references :
 
ethyl (E)-oct-4-enoate
fl. number :09.378
pubchem :743896
 
ethyl oct-4-enoate
pubchem :1732-00-9
other :
synonyms :
 ethyl (E)-oct-4-enoate
 ethyl trans-4-octenoate
(4E)-4-octenoic acid ethyl ester
(E)-4-octenoic acid ethyl ester
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde methyl hexyl acetalFR
isoamyl 2-methyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
 apple crotonateFR
 buchu mercaptanFL/FR
 butyl isovalerateFL/FR
(E)-carveolFL/FR
laevo-carveolFL/FR
laevo-carvoneFL/FR
(Z)-carvone-5,6-oxideFL/FR
 carvyl acetateFL/FR
 cassis pentanoneFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehyde / methyl anthranilate schiff's baseFR
beta-cubebeneFL
3-decanoneFL/FR
 dehydronootkatoneFL
 dihydrocarveolFL/FR
dextro-dihydrocarvoneFL/FR
 dihydronootkatoneFL
 dill seed oilFL
2-dodecanoneFL/FR
(Z)-4-dodecen-1-alFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (Z)-3-hexenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl cyclohexane propionateFL/FR
 ethyl isobutyrateFL/FR
 ethyl octanoateFL/FR
 geranyl methyl tiglate 
 green carboxylateFR
 heptanal cyclic ethylene acetalFR
 heptanal dimethyl acetalFL/FR
 heptyl acetateFL/FR
 hexanal diethyl acetalFL/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
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl 2-butenoateFL/FR
 hexyl 2-furoateFL/FR
 hexyl isobutyrateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 maltyl isobutyrateFL/FR
 melon nonenoateFL/FR
 melon octenoateFL/FR
(Z+E)-para-1(7)8-menthadien-2-yl acetateFL
3-mercaptohexyl acetateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2,4-decadienoateFL/FR
 methyl acetoacetateFL
 methyl nonanoateFL
 methyl octenoateFL/FR
 methyl thiomethyl butyrateFL
 mint lactoneFL/FR
 musk propanoateFR
 myrtenyl acetateFL/FR
 nerolidyl isobutyrateFR
 neryl isovalerateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(E,E)-2,4-octadien-1-alFL
2,4-octadien-1-alFL
(Z)-3-octen-1-yl propionateFL/FR
 passiflora acetateFL/FR
 pear valerateFR
 phenethyl acetateFL/FR
 propyl 2,4-decadienoateFL/FR
 propyl acetateFL/FR
 propyl heptanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl isobutyrateFL/FR
 sorbyl isobutyrateFL/FR
 spearmint absoluteFL/FR
 spearmint oilFL/FR
 spearmint oil terpenelessFL/FR
 terpinyl formateFL/FR
(Z)-8-tetradecen-1-alFL/FR
 tetrahydrocarvoneFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
2,5,9-trimethyl-4,9-decadien-1-alFR
(E)-2-undecen-1-alFL/FR
 viridiflorolFL/FR
potential uses :
 citrus
 fruit
 pear
 plum
 prune
 raisin
natural occurrence in :    note
 not found in nature  

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