totarol
 
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IUPAC name :(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
InChI :InChI=1/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
InChIKey :ZRVDANDJSTYELM-FXAWDEMLBD
SMILES :CC(C)C1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
cas number :511-15-9
molar refractivity :89.53 ± 0.3 cm3
parachor :717.9 ± 4.0 cm3
index of refraction :1.529 ± 0.02
surface tension :37.6 ± 3.0 dyne/cm
density :0.988 ± 0.06 g/cm3
polarizability :35.49 ± 0.5 10-24cm3
xlogp : 6.10
molecular weight : 286.4516000
formula :C20 H30 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
appearence :white solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 128.00 to 132.00 °C. @ 760.00 mm Hg
boiling point : 369.00 to 371.00 °C. @ 760.00 mm Hg
logp : 7.57

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 332.00  °F.  TCC  ( 166.67 °C. )

safety references :
EPI System :view
 
 
 (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
chemidplus :000511159
EPA Substance Registry Services :511-15-9
NLM Chemical Carcinogenesis Research Information System :511-15-9
NLM Developmental and Reproductive Toxicity :511-15-9
NLM Env. Mutagen Info. Center :511-15-9
NLM GENetic TOXicology :511-15-9

references :
 (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
pubchem :669701

other :
synonyms :
4b,5,6,7, 8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methyl ethyl)-2-phenanthrenol
14-isopropyl podocarpa-8,11,13-trien-13-ol
 totarol
4b,5,6,7, 8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-phenanthrenol

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecedarleaf oil canada @ trace-0.10%
data pagerosemary oil CO2 extract @ trace%



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