methyl 2-hexenoate
 
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IUPAC name :methyl hex-2-enoate
InChI :InChI=1/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3
InChIKey :GFUGBRNILVVWIE-UHFFFAOYAQ
SMILES :CCCC=CC(=O)OC
cas number :2396-77-2
fema number :2709
jecfa number :1809
molar refractivity :36.31 ± 0.3 cm3
parachor :322.5 ± 4.0 cm3
index of refraction :1.427 ± 0.02
surface tension :27.2 ± 3.0 dyne/cm
density :0.907 ± 0.06 g/cm3
polarizability :14.39 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 128.1689800
formula :C7 H12 O2
 
 
export tariff code :2916.12.6000
fda reg :172.515
 
 
organoleptics :
odor type :fatty
odor strength :medium
odor description :
at 100.00 %.  		fatty green fruity pineapple earthy
properties :
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91100 - 0.91600 @ 25.00 °C.
pounds per gallon - calc. : 7.580 to 7.622
refractive index :1.42300 - 1.42900 @ 20.00 °C.
boiling point : 168.00 - 170.00 °C. @ 760.00 mm Hg
boiling point : 53.00 - 56.00 °C. @ 7.00 mm Hg
logp : 2.38
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 112.00  °F.  TCC  ( 44.44 °C. )
  
recommendation for methyl 2-hexenoate usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for methyl 2-hexenoate usage levels up to :
  5.0000 ppm in the flavor.
  
safety links :
chemidplus :002396772
epa-srs :2396-77-2
  
other :
 
references :
jecfa number :1809
pubchem :197579
  
synonyms :
2-hexenoic acid methyl ester
 methyl 2-hexenoate
 methyl beta-propyl acrylate
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl amyl glycolate
 allyl butyrate
 allyl cyclohexyl propionate
 allyl heptanoate
 allyl isovalerate
 allyl octanoate
 allyl phenyl acetate
 allyl salicylate
 allyl tiglate
delta6-isoambrettolide
 amyl acetate
isoamyl acetate
isoamyl benzoate
 amyl butyrate
isoamyl butyrate
 amyl heptanoate
isoamyl heptanoate
isoamyl hexanoate
 amyl isobutyrate
isoamyl isobutyrate
isoamyl isovalerate
isoamyl octanoate
isoamyl propionate
para-anisyl acetate
para-anisyl alcohol
 benzaldehyde
 benzyl acetate
 benzyl alcohol
 benzyl isobutyrate
 benzyl propionate
3-benzyl-4-heptanone
 bergamot oil
 berry hexanoate
 blackberry thiophenone
 blood orange oil
 bois de rose oil
 boronia absolute
 buchu mercaptan
isobutyl 2-butenoate
 butyl acetate
isobutyl acetate
 butyl hexanoate
 butyl isobutyrate
isobutyl propionate
 carrot seed oil
 cherry pentenoate
 cinnamyl alcohol
 cinnamyl isovalerate
 citral
 citronellyl acetate
 citronellyl nitrile
 citrus carbaldehyde
 clary sage oil
 cognac heptanone
 coriander seed oil
 cyclamen aldehyde
beta-cyclocitral
 cyclohexyl ethyl alcohol
 cyclohexyl formate
 cyclohexyl isovalerate
 cyclohexyl propionate
2-cyclopentyl cyclopentanone
alpha-decalactone
 decanal
 diethyl maleate
 diethyl malonate
 dihydromyrcenol
 dimethyl octanyl acetate
 dimethyl succinate
(E,E)-2,4-dodecadien-1-ol
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-2-octenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 2-methyl butyrate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3-oxohexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
2-ethyl butyl acetate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 ethyl hexanoate
 ethyl hydrocinnamate
 ethyl methyl-para-tolyl glycidate
 ethyl octanoate
 ethyl vanillin
 floral pyranol
 furfuryl acetate
 furfuryl propionate
 geranyl acetate
(E)-geranyl acetone
 grapefruit pentanol
 green acetate
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl isobutyrate
 heptanal cyclic ethylene acetal
2-heptanol
(Z)-3-hepten-1-yl acetate
(E)-2-hexen-1-al
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
(E)-2-hexen-1-ol
(Z)-3-hexen-1-ol
2-hexen-1-ol
(Z)-3-hexen-1-yl 2-methyl butyrate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(E)-2-hexen-1-yl butyrate
(Z)-3-hexen-1-yl butyrate
(E)-2-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl tiglate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
(E)-3-hexenoic acid
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl 2-methyl butyrate
 hexyl acetate
 hexyl formate
 hexyl isovalerate
 hexyl octanoate
 hexyl tiglate
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 immortelle absolute
beta-ionone
beta-ionone epoxide
 ionones
2,4-ivy carbaldehyde
 leaf acetal
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 linalyl butyrate
 melon heptenal
 melon nonenoate
 melon valerate
dextro,laevo-menthyl acetate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-methyl butyrate
 methyl 2-methyl valerate
 methyl 2-undecynoate
 methyl 4-methyl valerate
2-methyl butyl acetate
 methyl butyl phenyl acetate
 methyl butyrate
 methyl dihydrojasmonate
 methyl heptanoate
 methyl heptenone
 methyl hydrocinnamate
 methyl R-3-acetoxyhexanoate
2-methyl valeraldehyde
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
4-methyl-2-penten-1-al
3-methyl-3-pentanol
 muguet carboxaldehyde
 nerolidyl isobutyrate
 neryl acetate
 nonanal
3-nonen-2-one
 ocean propanal
(E,E)-3,5-octadien-2-one
 octanal
(E)-2-octen-1-al
(Z)-5-octen-1-ol
(E)-2-octen-1-yl butyrate
 octen-1-yl cyclopentanone
(Z)-5-octen-1-yl propionate
(E)-2-octen-4-ol
 octyl 2-methyl butyrate
 orange oil
 osmanthus absolute
2-pentanone
2-pentyl furan
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl hexanoate
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl propionate
 phenoxyethyl isobutyrate
 phenyl acetaldehyde dimethyl acetal
 pineapple pentenoate
 prenol
 prenyl acetate
 prenyl hexanoate
isopropenyl acetate
isopropyl 2-methyl butyrate
isopropyl acetate
 propyl formate
isopropyl octanoate
isopropyl propionate
 propylene acetal
 raspberry ketone
 rhubarb undecane
 rose butanoate
 rose carboxylate
 strawberry furanone
 styralyl acetate
 styralyl butyrate
 tagete oil india
alpha-terpineol
 tetrahydrofurfuryl butyrate
 tetrahydrolinalool
 thiogeraniol
 timber dioxolane
 tropical indene
 tropical thiazole
gamma-undecalactone
 vanilla carboxylate
 violet dienyne
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
(odor and/or flavor) used in :
 earth humus
 fat
 fruit
 green
 pineapple
natural occurrence in :
found in nature



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