4,11-selinadiene
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IUPAC name :(2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
InChI :InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13H,1,5-10H2,2-4H3/t13-,15-/m0/s1
InChIKey :MOTCYZHGMCNNRH-ZFWWWQNUBG
SMILES :CC1=C2C[C@H](CC[C@@]2(CCC1)C)C(=C)C
cas number :28290-20-2
molar refractivity :66.39 ± 0.4 cm3
parachor :531.6 ± 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 :26.31 ± 0.5 10-24cm3
XlogP : 3.70
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 : 271.00 to 273.00 °C. @ 760.00 mm Hg
flash point : 224.00  °F.  TCC  ( 106.67 °C. )
logP (o/w) : 6.63

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

safety in use :
 

safety references :
EPI System :view
 
 
 
 (2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
chemidplus :28290-20-2
EPA Substance Registry Services :28290-20-2

references :
 (2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
NIST Chemistry WebBook :3863211636
pubchem :10545479

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
(2S,4aS)-2-isopropenyl-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
 selina-4,11-diene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecallitris columellaris wood oil australia @ 0.90%
data pagecallitris intratropica wood oil australia @ 0.80%
data pagelime oil distilled mexico @ 0.13%



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