alpha-acoradiene
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IUPAC name :(1S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-ene
InChI :InChI=1/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h6-7,9,11-13H,5,8,10H2,1-4H3/t12?,13-,15?/m0/s1
InChIKey :XTISJFXWBIASHF-VNHYZAJKBH
SMILES :C=C(C)C2CC[C@H](C)C12CCC(C)=CC1
cas number :24048-44-0
molar refractivity :66.59 ± 0.4 cm3
parachor :533.3 ± 6.0 cm3
index of refraction :1.494 ± 0.03
surface tension :29.7 ± 5.0 dyne/cm
density :0.89 ± 0.1 g/cm3
polarizability :26.40 ± 0.5 10-24cm3
XlogP : 4.50
XlogP3-AA : 4.90
molecular weight : 204.3510600
formula :C15 H24
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 : 270.00 to 271.00 °C. @ 760.00 mm Hg
flash point : 222.00  °F.  TCC  ( 105.56 °C. )
logP (o/w) : 6.31

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

safety in use :
 

safety references :
EPI System :view
 
 
 
 (1S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-ene
chemidplus :24048-44-0
EPA Substance Registry Services :24048-44-0

references :
 (1S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-ene
NIST Chemistry WebBook :935019427
pubchem :10545241

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
4,11-acoradiene
(1S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-ene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pageamyris wood oil @ 0.70%
data pagecarrot seed oil (daucus carota ssp. gummifer hook. fil.) spain @ trace-1.38%
data pagecedarwood oil china @ 0.60%
data pagecedarwood oil texas @ 0.70%
data pagecedarwood oil virginia @ 0.20%
data pageguava leaf oil cuba @ 0.20%



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