geranyl methyl tiglate
organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :[(2E)-3,7-dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate
InChI :InChI=1/C16H26O2/c1-12(2)8-7-9-14(5)10-11-18-16(17)15(6)13(3)4/h8,10H,7,9,11H2,1-6H3/b14-10+
InChIKey :GLMOJOJHHPDUHX-GXDHUFHOBK
SMILES :CC(=CCC/C(=C/COC(=O)C(=C(C)C)C)/C)C
cas number :10402-48-9
(EINECS) number :233-870-7
molar refractivity :77.49 ± 0.3 cm3
parachor :639.8 ± 4.0 cm3
index of refraction :1.473 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.906 ± 0.06 g/cm3
polarizability :30.72 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 250.3764400 (IUPAC) (PT) (112)
formula :C16 H26 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
sweet fruity tropical rose herbal rum
Luebke, William tgsc, (1988)
odor sample from :Fairmont Chemical Co. Inc.
substantivity :48  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 335.00 to 336.00 °C. @ 760.00 mm Hg
flash point : 326.00  °F.  TCC  ( 163.33 °C. )
logP (o/w) : 6.28

safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :information only not used for fragrances or flavors
 
recommendation for geranyl methyl tiglate fragrance usage levels up to :
 not for fragrance use.
recommendation for geranyl methyl tiglate flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 
[(2E)-3,7-dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate
(EINECS) number :233-870-7
chemidplus :010402489
EPA Substance Registry Services :10402-48-9

references :
 
[(2E)-3,7-dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate
pubchem :659525

other :
synonyms :
3,7-((2E)-3,7-dimethyl octa-2,6-dienyl) 2,3-dimethyl but-2-enoate
2,3-(E)-2,3-dimethyl-2-butenoic acid 3,7-dimethyl-2,6-octadienyl ester
3,7-dimethyl-2,6-octadienyl 2,3-dimethyl crotonate
[(2E)-3,7-dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate
(E)-geranyl methyl tiglate
(E)-neryl methyl tiglate

Similar Products:    note
 allyl tiglate
 amyl tiglate
isoamyl tiglate
 benzyl methyl tiglate
 benzyl tiglate
 butyl tiglate
isobutyl tiglate
 cinnamyl tiglate
(E)-citronellyl tiglate
(E)-ethyl tiglate
 geranyl tiglate
(Z)-3-hexen-1-yl tiglate
 hexyl tiglate
 methyl tiglate
3-octyl tiglate
 phenethyl tiglate
 propyl tiglate
isopropyl tiglate

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 allyl hexanoateFL/FR
 allyl isononylateFR
 allyl phenyl acetateFL/FR
isoamyl 3-methyl thiopropionateFL
isoamyl propionateFL/FR
 benzyl isobutyrateFL/FR
 berry pentadienoateFL/FR
 buchu mercaptanFL/FR
 butyl angelateFL/FR
 cassis buteneoneFL/FR
 cassis pentanoneFL/FR
 citronellyl acetateFL/FR
 citronellyl isovalerateFL/FR
 citronellyl valerateFL/FR
 citrus propanolFR
 cyclohexanone diethyl acetalFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl 3-octenoateFL
 ethyl acetateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl nonanoateFL/FR
 ethyl propionateFL/FR
 ethyl pyruvateFL/FR
(E)-ethyl tiglateFL/FR
 fruity carboxylateFR
 geraniolFL/FR
 geranium oil moroccoFL/FR
 geranyl butyrateFL/FR
 geranyl propionateFL/FR
 heptanal dimethyl acetalFL/FR
1-hexen-3-yl acetate 
 hexyl phenyl acetateFL/FR
 linalyl formateFL/FR
 linalyl propionateFL/FR
 maltyl isobutyrateFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl propionateFL/FR
 methyl thiomethyl butyrateFL
 neryl formateFL/FR
 nonyl heptanoate 
2-octen-4-oneFL/FR
 octyl formateFL/FR
 passiflora acetateFL/FR
1-penten-3-olFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
2-phenethyl valerateFL/FR
2-phenyl propyl butyrateFL/FR
 prenyl formateFL/FR
 propyl isobutyrateFL/FR
 rhodinyl butyrateFL/FR
 santalyl butyrateFL/FR
 tropical 3-thiobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 viridiflorolFL/FR

potential uses :
 herbalFR
 rose 
 rum 

natural occurrence in :    note
 not found in nature  



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