6-acetoxydihydrotheaspirane
Notes :
Blends well with damascones.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-10-yl) acetate
InChI :InChI=1/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3
InChIKey :LTAWGWRPOGXHBD-UHFFFAOYAR
SMILES :CC1CCC2(O1)C(CCCC2(C)OC(=O)C)(C)C
(EINECS) number :261-005-3
cas number :57893-27-3
fema number :3651
jecfa number :1647
fl. number :13.087
molar refractivity :71.01 ± 0.4 cm3
parachor :604.4 ± 6.0 cm3
index of refraction :1.480 ± 0.03
surface tension :34.3 ± 5.0 dyne/cm
density :1.01 ± 0.1 g/cm3
polarizability :28.15 ± 0.5 10-24cm3
xlogp : 3.40
molecular weight : 254.3651400
formula :C15 H26 O3
 
 
fda reg :unspecified h. number :2915.39.9050
organoleptics : 
odor type :herbal
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
powerful citrus herbal green tea tangerine grapefruit mango passion fruit
properties : 
appearence :white crystals
assay : 90.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
melting point : 50.00 - 53.00 °C. @ 760.00 mm Hg
boiling point : 309.00 - 310.00 °C. @ 760.00 mm Hg
logp : 3.80
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 260.00  °F.  TCC  ( 126.67 °C. )
  
recommendation for 6-acetoxydihydrotheaspirane usage levels up to :
  0.1000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :261-005-3
toxnet :57893-27-3
epa-srs :57893-27-3
pubchem :57893-27-3
  
other : 
 
references : 
synonyms :
6-acetoxydihydrotheaspirane
isospirene
2RS,5SR,6SR-2,6,10,10-tetramethyl-1-oxaspiro 4,5 dec-6-yl acetate
(2,6,10,10-tetramethyl-1-oxaspiro(4.5)dec-6-yl) acetate
(2alpha,5alpha(S*))-2,6,10,10-tetramethyl-1-oxaspiro(4.5)decan-6-yl acetate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 cassis absolute
 damascones
 dimethyl cyclohexenyl pentenone
 ethyl maltol
 galbanum oil
 galbanum oxathiane
 methyl propyl oxathian
 osmanthus absolute
(odor and/or flavor) used in :
 cassis black currant bud
 citrus
 grapefruit
 herbal
 mango
 passion fruit
 tangerine
 tea green tea
natural occurrence in :
 not found in nature



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