valerianol
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IUPAC name :2-[(2R,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
InChI :InChI=1/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11u,13-,15-/m1/s1
InChIKey :MQWIFDHBNGIVPO-KYOSRNDEBE
SMILES :CC1CCC=C2[C@@]1(C[C@@H](CC2)C(C)(C)O)C
cas number :20489-45-6
molar refractivity :68.59 ± 0.4 cm3
parachor :561.2 ± 6.0 cm3
index of refraction :1.505 ± 0.03
surface tension :34.7 ± 5.0 dyne/cm
density :0.96 ± 0.1 g/cm3
polarizability :27.19 ± 0.5 10-24cm3
XlogP : 4.50
molecular weight : 222.3663400
formula :C15 H26 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :

properties :
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 309.00 to 310.00 °C. @ 760.00 mm Hg
flash point : 236.00  °F.  TCC  ( 113.33 °C. )
logP (o/w) : 4.62

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-[(2R,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
chemidplus :20489-45-6
EPA Substance Registry Services :20489-45-6

references :
 2-[(2R,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
pubchem :39344745

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-[(2R,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
 kusunol

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pageamyris wood oil @ 22.10%
cinnamona camphora (kusunol)
data pageclary sage oil greece @ 0.10%
data pagelaurel leaf oil turkey @ 0.20%
data pagephoebe oil brazil @ 7.55%
data pagepiper cernum vell. var. cernum yuncker leaf oil brazil @ 2.10%
valerian root oil
data pagevalerian root oil @ 1.5-14.2%
valeriana officinalis l.



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