widdrol
 
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IUPAC name :(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
InChI :InChI=1/C15H26O/c1-13(2)7-5-8-14(3)10-11-15(4,16)9-6-12(13)14/h6,16H,5,7-11H2,1-4H3/t14-,15+/m0/s1
InChIKey :BXGVVQADPFXGHD-LSDHHAIUBQ
SMILES :CC1(CCC[C@@]2(C1=CC[C@@](CC2)(C)O)C)C
cas number :6892-80-4
molar refractivity :68.65 ± 0.4 cm3
parachor :561.5 ± 6.0 cm3
index of refraction :1.507 ± 0.03
surface tension :35.2 ± 5.0 dyne/cm
density :0.96 ± 0.1 g/cm3
polarizability :27.21 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 222.3663400
formula :C15 H26 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :

properties :
appearence :colorless solid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 98.00 °C. @ 760.00 mm Hg
boiling point : 303.00 - 304.00 °C. @ 760.00 mm Hg
logp : 5.14

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 263.00  °F.  TCC  ( 128.33 °C. )
  
recommendation for widdrol usage levels up to :
  5.0000 % in the fragrance concentrate.
  

safety links :
chemidplus :006892804
epa-srs :6892-80-4
  

other :
 

references :
pubchem :671404
  
synonyms :
(4aS-cis)-2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-1H-benzocyclohepten-7-ol
(Z)-2,3,4,4alpha,5,6,7,8-octahydro-1,1,4alpha,7-tetramethyl-1H-benzo(7)annulen-7-ol
 widdrol
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagecassinia laevis flower oil australia @ 5.30%
data pagecassinia laevis leaf oil australia @ 3.80%
data pagecedarwood oil atlanta @ 1.40%
data pagecedarwood oil china @ 9.50%
data pagecedarwood oil texas @ 1.60%
data pagecedarwood oil virginia @ 2.30%
juniper wood oil
juniperus communis l.
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.10%



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