allyl isononylate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :prop-2-enyl 5,5-dimethylheptanoate
InChI :InChI=1/C12H22O2/c1-5-10-14-11(13)8-7-9-12(3,4)6-2/h5H,1,6-10H2,2-4H3
InChIKey :DMPNGAXZQQAONL-UHFFFAOYAA
SMILES :CCC(C)(C)CCCC(=O)OCC=C
(EINECS) number :268-648-9
cas number :68132-80-9
molar refractivity :59.10 ± 0.3 cm3
parachor :518.3 ± 4.0 cm3
index of refraction :1.437 ± 0.02
surface tension :28.0 ± 3.0 dyne/cm
density :0.880 ± 0.06 g/cm3
polarizability :23.43 ± 0.5 10-24cm3
xlogp : 4.50
molecular weight : 198.3018800
formula :C12 H22 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fruity rose sweet musk

properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86900 - 0.87600 @ 20.00 °C.
pounds per gallon - calc. : 7.239 to 7.298
refractive index :1.42900 - 1.43300 @ 20.00 °C.
boiling point : 208.00 - 210.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.35

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 181.00  °F.  TCC  ( 82.78 °C. )
  
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl isononylate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for allyl isononylate usage levels up to :
 not for flavor use.
  

safety links :
(EINECS) number :268-648-9
chemidplus :068132809
epa-srs :68132-80-9
  
EPI System :Click here

other :
 

references :
pubchem :686851
  
synonyms :
 allyl isononylate
5,5-allyl trimethyl hexanoate
 prop-2-enyl 5,5-dimethyl heptanoate
2-propenyl 5,5-dimethyl heptanoate
2-propenyl trimethyl hexanoate
 trimethyl hexanoic acid 2-propenyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 ambrette seed absolute
 benzyl isobutyrate
 butyl angelate
 cassis buteneone
 citronellal diisotridecyl acetal
 citronellyl acetate
laevo-citronellyl acetate
 citronellyl anthranilate
 citronellyl hexanoate
(E)-citronellyl tiglate
beta-damascenone
delta-damascone
 dimethyl benzyl carbinyl acetate
 dimethyl octanyl acetate
 ethyl linalyl acetate
 ethyl nonanoate
 ethyl ortho-anisate
(E)-ethyl tiglate
 geraniol
 geranium cyclohexane
 geranyl butyrate
 geranyl isobutyrate
 geranyl octanoate
 geranyl propionate
 geranyl valerate
 hexyl phenyl acetate
 linalyl formate
 musk acetate
 musk indane
 musk nonane
 musk tetralin
 octyl formate
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl propionate
 phenethyl valerate
 rhodinyl butyrate
 santalyl butyrate
(odor and/or flavor) used in :
 floral
 fruit
 rose
 tropical
natural occurrence in :
not found in nature



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Html Last modified 10/29/2008