apricot isobutyrate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2-methylpropanoate
InChI :InChI=1/C14H24O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h10-13H,3-9H2,1-2H3
InChIKey :KWWPABFNYJNITP-UHFFFAOYAB
SMILES :CC(C)C(=O)OC1CCC2CCCCC2C1
(EINECS) number :267-506-3
cas number :67874-78-6
molar refractivity :64.54 ± 0.4 cm3
parachor :549.1 ± 6.0 cm3
index of refraction :1.478 ± 0.03
surface tension :33.7 ± 5.0 dyne/cm
density :0.98 ± 0.1 g/cm3
polarizability :25.58 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 224.3391600
formula :C14 H24 O2
 
 
fda reg :unspecified h. number :2915.60.0000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fruity mild apricot plum rose
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97100 - 0.97900 @ 25.00 °C.
pounds per gallon - calc. : 8.080 to 8.146
specific gravity :0.97200 - 0.98000 @ 20.00 °C.
pounds per gallon - calc. : 8.097 to 8.164
refractive index :1.48600 - 1.47200 @ 20.00 °C.
boiling point : 271.00 - 272.00 °C. @ 760.00 mm Hg
logp : 4.66
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for apricot isobutyrate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for apricot isobutyrate usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :267-506-3
chemidplus :067874786
epa-srs :67874-78-6
  
other : 
 
references : 
pubchem :684143
  
synonyms :
 apricot isobutyrate
 decahydro-2-naphthyl isobutyrate
(E)-decahydro-beta-naphthyl isobutyrate
trans-decahydro-beta-naphthyl isobutyrate
 decalin-2-yl 2-methyl propanoate
2-methyl propanoic acid decahydro-2-naphthalenyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 apricot
 fruit
 jasmin
 plum
natural occurrence in :
not found in nature



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