sandaracopimaradiene
 
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IUPAC name :(4aS,4bS,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
InChI :InChI=1/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19-,20+/m0/s1
InChIKey :XDSYKASBVOZOAG-QGZVKYPTBZ
SMILES :CC1(CCC[C@]2([C@H]1CCC3=C[C@@](CC[C@@H]32)(C)C=C)C)C
cas number :21738-16-9
molar refractivity :87.95 ± 0.4 cm3
parachor :700.5 ± 6.0 cm3
index of refraction :1.514 ± 0.03
surface tension :33.0 ± 5.0 dyne/cm
density :0.93 ± 0.1 g/cm3
polarizability :34.86 ± 0.5 10-24cm3
xlogp : 7.30
molecular weight : 272.4680800
formula :C20 H32
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 336.00 to 337.00 °C. @ 760.00 mm Hg
logp : 8.63

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 303.00  °F.  TCC  ( 150.56 °C. )

safety references :
EPI System :view
 
 
 (4aS,4bS,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
chemidplus :21738-16-9
EPA Substance Registry Services :21738-16-9
NLM Chemical Carcinogenesis Research Information System :21738-16-9
NLM Developmental and Reproductive Toxicity :21738-16-9
NLM Env. Mutagen Info. Center :21738-16-9
NLM GENetic TOXicology :21738-16-9

references :
 (4aS,4bS,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
pubchem :36886781

other :
synonyms :
 sandaracopimaradiene
(+)-sandaracopimaradiene
 sandracopimaradiene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecypress oil @ 0.26-0.95%
data pagesavin oil @ 0.47%



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Html Last modified 11/29/2008