delta-selinene
 
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IUPAC name :4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
InChI :InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11H,5-9H2,1-4H3
InChIKey :VEGYMPQCXPVQJY-UHFFFAOYAN
SMILES :CC1=C2C=C(CCC2(CCC1)C)C(C)C
cas number :28624-23-9
molar refractivity :66.53 ± 0.4 cm3
parachor :530.0 ± 6.0 cm3
index of refraction :1.501 ± 0.03
surface tension :30.4 ± 5.0 dyne/cm
density :0.90 ± 0.1 g/cm3
polarizability :26.37 ± 0.5 10-24cm3
xlogp : 3.80
molecular weight : 204.3510600
formula :C15 H24
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 282.00 to 283.00 °C. @ 760.00 mm Hg
logp : 6.52

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 234.00  °F.  TCC  ( 112.22 °C. )

safety references :
EPI System :view
 
 
 4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
chemidplus :28624-23-9
EPA Substance Registry Services :28624-23-9
NLM Chemical Carcinogenesis Research Information System :28624-23-9
NLM Developmental and Reproductive Toxicity :28624-23-9
NLM Env. Mutagen Info. Center :28624-23-9
NLM GENetic TOXicology :28624-23-9

references :
 4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
pubchem :10517066
NIST Chemistry WebBook :814299387

other :
synonyms :
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
delta-selinene

natural occurrence in :
data pagecitronella oil zimbabwe @ 0.47%
data pageeucalyptus globulus fruit oil @ trace%
data pagelime oil distilled mexico @ 0.20%



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