isoterpinolene
 
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IUPAC name :3-methyl-6-propan-2-ylidenecyclohexene
InChI :InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3
InChIKey :CIPXOBMYVWRNLL-UHFFFAOYAX
SMILES :CC1CCC(=C(C)C)C=C1
(EINECS) number :209-579-6
cas number :586-63-0
molar refractivity :45.46 ± 0.3 cm3
parachor :366.6 ± 6.0 cm3
index of refraction :1.474 ± 0.02
surface tension :26.4 ± 3.0 dyne/cm
density :0.842 ± 0.06 g/cm3
polarizability :18.02 ± 0.5 10-24cm3
xlogp : 3.90
molecular weight : 136.2340400
formula :C10 H16
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 176.00 to 177.00 °C. @ 760.00 mm Hg
logp : 4.55

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 115.00  °F.  TCC  ( 46.11 °C. )

safety references :
EPI System :view
 
 
 3-methyl-6-propan-2-ylidenecyclohexene
(EINECS) number :209-579-6
chemidplus :000586630
EPA Substance Registry Services :586-63-0
NLM Chemical Carcinogenesis Research Information System :586-63-0
NLM Developmental and Reproductive Toxicity :586-63-0
NLM Env. Mutagen Info. Center :586-63-0
NLM GENetic TOXicology :586-63-0

references :
 3-methyl-6-propan-2-ylidenecyclohexene
pubchem :679900
NIST Chemistry WebBook :1701043276

other :
synonyms :
para-mentha-2,4(8)-diene
2,4(8)-para-menthadiene
3-methyl-6-(1-methyl ethylidene) cyclohexene
isoterpinolene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecalamus leaf oil @ 0.07%
data pagemandarin oil uruguay @ trace%
data pagepine needle oil dwarf @ 0.07%



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Html Last modified 11/29/2008