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
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.

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 :
 
recommendation for ethyl 2-methyl-2-pentenoate usage levels up to :
  5.0000 % in the fragrance concentrate.

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

(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 acetoin butyrate
 acetyl methyl anthranilate
 allyl benzoate
 allyl hexanoate
 allyl phenyl acetate
 allyl tiglate
 ambrette seed absolute
delta6-isoambrettolide
isoamyl 2-methyl butyrate
isoamyl pyruvate
para-anisyl propanal
 artemisyl ketone
 benzyl butyrate
3-benzyl-4-heptanone
 berry hexanoate
 berry pentadienoate
 bisabolene
 blackberry thiophenone
 bornyl valerate
 buchu mercaptan
 butyl anthranilate
isobutyl anthranilate
isobutyl butyrate
 butyl formate
 butyl hexanoate
isobutyl isovalerate
 butyl valerate
isobutyl-3-(methyl thio) butyrate
 campholene acetate
alpha-campholenic alcohol
 conifer acetate
ortho-cresyl isobutyrate
 cyclohexanone diethyl acetal
 cyclohexyl ethyl acetate
beta-damascenone
alpha-damascone
 davana oil
 decyl propionate
 dihydro-alpha-ionone
isodihydrolavandulal
 ethyl (E)-crotonate
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 2-methyl-2-pentenoate
 ethyl 3-oxohexanoate
 ethyl acetate
2-ethyl butyric acid
 ethyl cinnamate
 ethyl cyclopentenolone
 ethyl heptanoate
 ethyl hydrocinnamate
 ethyl levulinate
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl nonanoate
 ethyl ortho-anisate
 ethyl propionate
 ethyl pyruvate
 ethyl valerate
 filbert hexenone
 fir balsam absolute
 fruity carboxylate
 fruity ketal
 furfuryl isovalerate
(E)-furfurylidene phenyl acetaldehyde
 geranyl butyrate
 geranyl isovalerate
 geranyl methyl tiglate
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl isobutyrate
 heptyl acetate
 herbal undecanone
3-hexanone
(Z)-3-hexen-1-yl 2-methyl butyrate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl phenyl acetate
1-hexen-3-ol
1-hexen-3-yl acetate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hyacinth ether
beta-ionone
beta-ionone epoxide
beta-ionyl acetate
 juniper berry oleoresin
 leather propionate
 linalyl propionate
 maltyl isobutyrate
 maltyl propionate
 mango thiol
dextro,laevo-menthyl acetate
 methyl (E)-cinnamate
 methyl 2-methyl valerate
 methyl beta-ionol
 methyl cinnamate
 methyl furfuryl disulfide
 methyl heptanoate
 methyl propionate
 methyl tiglate
2-methyl-2-pentenoic acid
2-methyl-3-pentenoic acid
 nerolin fragarol
 neryl isobutyrate
(E)-5-nonen-2-one
3-nonen-2-one
(E)-2-octen-1-yl butyrate
3-octen-2-one
(E)-2-octen-4-ol
 octyl propionate
 orris root resinoid
 osmanthus absolute
 phenethyl butyrate
2-phenethyl isothiocyanate
 phenethyl pivalate
2-phenyl propyl butyrate
3-phenyl propyl isovalerate
 phenyl propyl valerate
 pine needle oil dwarf
 prenyl formate
isopropenyl acetate
 propyl acetate
 propyl formate
 propyl heptanoate
isopropyl hexanoate
 propyl isobutyrate
 prune glycidate
 pyruvaldehyde
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rose carboxylate
 strawberry furanone
 strawberry glycidate 1
 strawberry glycidate 2
 styralyl butyrate
 tetrahydrofurfuryl acetate
 tetrahydroionyl acetate
 thiogeraniol
4-(para-tolyl)-2-butanone
 tropical trithiane
 valeraldehyde
isovaleraldehyde propylene glycol acetal
 vanilla carboxylate

(odor and/or flavor) used in :
 fruity
 tropical

natural occurrence in :
not found in nature



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