16-kaurene
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
InChI :InChI=1/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3
InChIKey :ONVABDHFQKWOSV-UHFFFAOYAK
SMILES :C=C3/CC24CCC1C(CCCC1(C2CCC3C4)C)(C)C
cas number :562-28-7
molar refractivity :85..97 ± 0.4 cm3
parachor :681.3 ± 6.0 cm3
index of refraction :1.524 ± 0.03
surface tension :34.7 ± 5.0 dyne/cm
density :0.97 ± 0.1 g/cm3
polarizability :34.08 ± 0.5 10-24cm3
xlogp : 7.00
molecular weight : 272.4680800
formula :C20 H32
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 346.00 to 348.00 °C. @ 760.00 mm Hg
logp : 8.47

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 338.00  °F.  TCC  ( 170.00 °C. )

safety references :
EPI System :view
 
 
chemidplus :000562287
EPA Substance Registry Services :562-28-7
NLM Chemical Carcinogenesis Research Information System :562-28-7
NLM Developmental and Reproductive Toxicity :562-28-7
NLM Env. Mutagen Info. Center :562-28-7
NLM GENetic TOXicology :562-28-7

references :
pubchem :3727509
NIST Chemistry WebBook :1809107256

other :
synonyms :
 kaur-16-ene
(-)-kaur-16-ene
16-kaurene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagemicrostrobos fitzgeraldii leaf oil australia @ 6.30%



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