santalyl butyrate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
InChI :InChI=1/C19H30O2/c1-5-7-17(20)21-12-13(2)8-6-9-18(3)14-10-15-16(11-14)19(15,18)4/h8,14-16H,5-7,9-12H2,1-4H3/b13-8+
InChIKey :QDSFSPZPVZEBGR-MDWZMJQEBG
SMILES :CCCC(=O)OC/C(=C/CCC1(C2CC3C1(C3C2)C)C)/C
(EINECS) number :266-801-4
cas number :67633-99-2
molar refractivity :85.67 ± 0.3 cm3
parachor :714.3 ± 4.0 cm3
index of refraction :1.511 ± 0.02
surface tension :38.9 ± 3.0 dyne/cm
density :1.015 ± 0.06 g/cm3
polarizability :33.96 ± 0.5 10-24cm3
xlogp : 5.10
molecular weight : 290.4403000
formula :C19 H30 O2
 
 
fda reg :unspecified h. number :2915.60.0000
organoleptics : 
odor type :woody
odor strength :medium
odor description :
at 100.00 %.  
woody balsam fruity rose
substantivity :312  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 80.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96200 - 0.97000 @ 25.00 °C.
pounds per gallon - calc. : 8.005 to 8.071
specific gravity :0.96300 - 0.97100 @ 20.00 °C.
pounds per gallon - calc. : 8.022 to 8.089
refractive index :1.48200 - 1.48800 @ 20.00 °C.
boiling point : 357.00 - 358.00 °C. @ 760.00 mm Hg
logp : 5.10
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for santalyl butyrate usage levels up to :
  10.0000 % in the fragrance concentrate.
  
recommendation for santalyl butyrate usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :266-801-4
chemidplus :067633992
epa-srs :67633-99-2
  
other : 
 
references : 
pubchem :683954
  
synonyms :
 butanoic acid 5-(2,3-dimethyl tricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-pentenyl ester
5-(2,3-dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-yl butyrate
 santalyl butyrate
alpha-santalyl butyrate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 aldehydic
 amber
 balsam
 moss
 oriental
 rose
 woody
natural occurrence in :
not found in nature



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Html Last modified 08/14/2008