geranyl methyl tiglate
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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
formula :C16 H26 O2
 
 
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 :¹
at 10.00 % in dipropylene glycol.  
sweet fruity tropical rose herbal rum
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 :
 
recommendation for geranyl methyl tiglate usage levels up to :
  2.0000 % in the fragrance concentrate.

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 :
reference : Luebke, William tgsc, (1988)¹
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

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl hexanoate
 allyl isononylate
 allyl phenyl acetate
isoamyl 3-methyl thiopropionate
isoamyl propionate
 benzyl isobutyrate
 berry pentadienoate
 buchu mercaptan
 butyl angelate
 cassis buteneone
 cassis pentanone
 citronellyl acetate
 citronellyl isovalerate
 citronellyl valerate
 citrus propanol
 cyclohexanone diethyl acetal
beta-damascenone
delta-damascone
 dimethyl benzyl carbinyl acetate
 ethyl (E,Z)-2,4-decadienoate
 ethyl 3-octenoate
 ethyl acetate
 ethyl hydrocinnamate
 ethyl nonanoate
 ethyl propionate
 ethyl pyruvate
(E)-ethyl tiglate
 fruity carboxylate
 geraniol
 geranium oil moroccan
 geranyl butyrate
 geranyl propionate
 heptanal dimethyl acetal
1-hexen-3-yl acetate
 hexyl phenyl acetate
 linalyl formate
 linalyl propionate
 maltyl isobutyrate
 methyl 2-(methyl thio) butyrate
 methyl propionate
 methyl thiomethyl butyrate
 neryl formate
 nonyl heptanoate
2-octen-4-one
 octyl formate
 passiflora acetate
1-penten-3-ol
 phenethyl acetate
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl valerate
2-phenyl propyl butyrate
 prenyl formate
 propyl isobutyrate
 rhodinyl butyrate
 santalyl butyrate
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical thiazole
 viridiflorol

(odor and/or flavor) used in :
 herbal
 rose
 rum

natural occurrence in :
not found in nature



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