beta-elemol
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IUPAC name :2-[(1R,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
InChI :InChI=1/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13u,15-/m1/s1
SMILES :CC(=C)C1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O
cas number :32142-08-8
molar refractivity :71.53 ± 0.3 cm3
parachor :581.3 ± 6.0 cm3
index of refraction :1.511 ± 0.02
surface tension :35.3 ± 3.0 dyne/cm
density :0.932 ± 0.06 g/cm3
polarizability :28.35 ± 0.5 10-24cm3
XlogP : 4.70
NMR Predictor :Predict
 
 

organoleptics :

properties :
Food Chemicals Codex Listed :No
boiling point : 289.00 to 290.00 °C. @ 760.00 mm Hg
flash point : 210.00  °F.  TCC  ( 98.89 °C. )
logP (o/w) : 4.75

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 

safety references :
EPI System :view
 
 
 
 
2-[(1R,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
chemidplus :32142-08-8
EPA Substance Registry Services :32142-08-8

references :
 
2-[(1R,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
NIST Chemistry WebBook :1497876745
pubchem :10545066

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-[(1R,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
2-((1R,4S)-3-isopropenyl-4-methyl-4-vinyl cyclohexyl) propan-2-ol

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecascarilla bark oil @ 0.51% S
data pagecistus oil @ 0.2% S
data pagemikan peel oil @ 0.01% S
data pagepiper cernum vell. var. cernum yuncker leaf oil brazil @ 6.70% S



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