beta-acorenol
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IUPAC name :2-[(4R)-4,8-dimethylspiro[4.5]dec-8-en-1-yl]propan-2-ol
InChI :InChI=1/C15H26O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13u,15u/m1/s1
InChIKey :XDVDHFJMCJWDPI-DNOWBOINBY
SMILES :C[C@@H]1CCC(C12CCC(=CC2)C)C(C)(C)O
cas number :28400-11-5
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 : 4.80
XlogP3-AA : 3.60
molecular weight : 222.3663400 (IUPAC)
formula :C15 H26 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 309.00 to 311.00 °C. @ 760.00 mm Hg
flash point : 238.00  °F.  TCC  ( 114.44 °C. )
logP (o/w) : 4.67

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

safety in use :
 
recommendation for beta-acorenol fragrance usage levels up to :
 not for fragrance use.
recommendation for beta-acorenol flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 
 
2-[(4R)-4,8-dimethylspiro[4.5]dec-8-en-1-yl]propan-2-ol
chemidplus :28400-11-5
EPA Substance Registry Services :28400-11-5

references :
 
2-[(4R)-4,8-dimethylspiro[4.5]dec-8-en-1-yl]propan-2-ol
NIST Chemistry WebBook :28400115
pubchem :39290806

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
3-acoren-11-ol
2-[(4R)-4,8-dimethylspiro[4.5]dec-8-en-1-yl]propan-2-ol

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pageamyris wood oil @ 0.70% S
data pageguava leaf oil cuba @ trace% S
 juniperus rigida wood S



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