bergamot acetoacetate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(2-methyl-6-methylideneoct-7-en-2-yl) acetate
InChI :InChI=1/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3
InChIKey :DCXXKSXLKWAZNO-UHFFFAOYAI
SMILES :CC(=O)OC(C)(C)CCCC(=C)C=C
(EINECS) number :273-868-3
cas number :69103-01-1
molar refractivity :58.67 ± 0.3 cm3
parachor :503.5 ± 4.0 cm3
index of refraction :1.445 ± 0.02
surface tension :27.3 ± 3.0 dyne/cm
density :0.891 ± 0.06 g/cm3
polarizability :23.26 ± 0.5 10-24cm3
xlogp : 3.80
molecular weight : 196.2860000
formula :C12 H20 O2
 
 
fda reg :unspecified h. number :2915.39.9050
organoleptics : 
odor type :citrus
odor strength :medium
odor description :
at 100.00 %.  
fresh herbal bergamot stem floral buchu
substantivity :12  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92400 - 0.93800 @ 20.00 °C.
pounds per gallon - calc. : 7.698 to 7.814
refractive index :1.46200 - 1.46600 @ 20.00 °C.
boiling point : 257.00 - 258.00 °C. @ 760.00 mm Hg
logp : 3.80
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 195.00  °F.  TCC  ( 90.56 °C. )
  
recommendation for bergamot acetoacetate usage levels up to :
  12.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :273-868-3
chemidplus :069103011
epa-srs :69103-01-1
  
other : 
 
references : 
pubchem :3762333
  
synonyms :
 acetate de pseudomyrcenyle, normal
 acetic acid esters with turpentine oil myrcene fraction terpene alcohols
2-acetoxy-2-methyl-6-methylene-7-octene
 bergamot acetoacetate
 neobergamate
 terpene alcohols acetates
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 bergamot
 chypre
 fern fougere
 fresh
 herbal
 lavender
 tobacco tabac tabaco
natural occurrence in :
not found in nature



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