ethyl 2-methyl-2-pentenoate
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IUPAC name :ethyl (E)-2-methylpent-2-enoate
InChI :InChI=1/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKey :HYQYCHQAUPHFKX-VOTSOKGWBK
SMILES :CC\C=C(/C)\C(=O)OCC
cas number :58625-96-0
(EINECS) number :261-367-2
molar refractivity :40.78 ± 0.3 cm3
parachor :358.5 ± 4.0 cm3
index of refraction :1.431 ± 0.02
surface tension :26.8 ± 3.0 dyne/cm
density :0.902 ± 0.06 g/cm3
polarizability :16.16 ± 0.5 10-24cm3
XlogP : 2.10
molecular weight : 142.1955600 (IUPAC)
formula :C8 H14 O2
NMR Predictor :Predict
 
 
export tariff code :2916.19.6000
fda reg :unspecified
Suppliers :
Bedoukian Research :ETHYL 2-METHYL-2-PENTENOATE
≥95.0%
Odor:  A sweet berry-like odor with rum note
Used as an enhancer for fruity fragrances.
organoleptics :
odor type :jammy
odor strength :medium
odor description:
at 100.00 %.  		sweet berry rum
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.90000 to 0.92000 @ 25.00 °C.
pounds per gallon - calc. : 7.489 to 7.655
refractive index :1.42900 to 1.44900 @ 20.00 °C.
boiling point : 171.00 to 172.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :1.39000 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 150.00  °F.  TCC  ( 65.56 °C. )
logP (o/w) : 2.93
shelf life : 48.00 month(s) or longer if stored properly.
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for ethyl 2-methyl-2-pentenoate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for ethyl 2-methyl-2-pentenoate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
ethyl (E)-2-methylpent-2-enoate
(EINECS) number :261-367-2
chemidplus :058625960
EPA Substance Registry Services :58625-96-0
references :
 
ethyl (E)-2-methylpent-2-enoate
pubchem :670917
other :
synonyms :
 ethyl (E)-2-methylpent-2-enoate
 ethyl 2-methyl pent-2-en-1-oate
2-methyl-2-pentenoic acid ethyl ester
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde methyl hexyl acetalFR
 acetoin butyrateFL
 acetyl methyl anthranilateFL/FR
 allyl benzoateFR
 allyl hexanoateFL/FR
 allyl phenyl acetateFL/FR
 allyl tiglateFL
 ambrette seed absoluteFL/FR
delta6-isoambrettolideFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl pyruvateFL/FR
para-anisyl propanalFR
 artemisyl ketoneFL/FR
 benzyl butyrateFL/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 formateFL/FR
 butyl hexanoateFL/FR
isobutyl isovalerateFL/FR
 butyl valerateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
 campholene acetateFL/FR
alpha-campholenic alcoholFL/FR
 conifer acetateFL/FR
ortho-cresyl isobutyrateFL/FR
 cyclohexanone diethyl acetalFL/FR
 cyclohexyl ethyl acetateFL/FR
beta-damascenoneFL/FR
alpha-damasconeFL/FR
 davana oilFL/FR
 decyl propionateFL/FR
 dihydro-alpha-iononeFL/FR
isodihydrolavandulalFL/FR
 ethyl (E)-crotonateFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 2-methyl-2-pentenoateFR
 ethyl 3-oxohexanoateFL
 ethyl acetateFL/FR
2-ethyl butyric acidFL/FR
 ethyl cinnamateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl heptanoateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl levulinateFL/FR
 ethyl maltolFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl nonanoateFL/FR
 ethyl ortho-anisateFL/FR
 ethyl propionateFL/FR
 ethyl pyruvateFL/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
 geranyl methyl tiglate 
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl isobutyrateFL/FR
 heptyl acetateFL/FR
 herbal undecanoneFR
3-hexanoneFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
1-hexen-3-olFL/FR
1-hexen-3-yl acetate 
 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
 linalyl propionateFL/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
 methyl tiglateFL
2-methyl-2-pentenoic acidFL/FR
2-methyl-3-pentenoic acidFL/FR
 nerolin fragarolFL/FR
 neryl isobutyrateFL/FR
(E)-5-nonen-2-oneFL
3-nonen-2-oneFL/FR
(E)-2-octen-1-yl butyrateFL/FR
3-octen-2-oneFL/FR
(E)-2-octen-4-olFL
 octyl propionateFL/FR
 orris root resinoidFL/FR
 osmanthus absoluteFL/FR
 phenethyl butyrateFL/FR
2-phenethyl isothiocyanateFL
 phenethyl pivalateFL/FR
2-phenyl propyl butyrateFL/FR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
 pine needle oil dwarfFL/FR
 prenyl formateFL/FR
isopropenyl acetateFL/FR
 propyl acetateFL/FR
 propyl formateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 prune glycidateFR
 pyruvaldehydeFL
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rose carboxylateFR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydroionyl acetateFR
 thiogeraniolFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical trithianeFL/FR
 valeraldehydeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
 vanilla carboxylateFL/FR
potential uses :
 fruity
 tropical
natural occurrence in :    note
 not found in nature  

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