bicyclosesquiphellandrene
 
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IUPAC name :4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
InChI :InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3
InChIKey :RNDFUOKDULDZPR-UHFFFAOYAZ
SMILES :CC1CCC(C2=CC(=C)CCC12)C(C)C
cas number :54324-03-7
molar refractivity :66.54 ± 0.4 cm3
parachor :532.9 ± 6.0 cm3
index of refraction :1.492 ± 0.03
surface tension :29.2 ± 5.0 dyne/cm
density :0.89 ± 0.1 g/cm3
polarizability :26.37 ± 0.5 10-24cm3
xlogp : 4.50
molecular weight : 204.3510600
formula :C15 H24
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 280.00 to 282.00 °C. @ 760.00 mm Hg
logp : 6.43

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 232.00  °F.  TCC  ( 111.11 °C. )
recommendation for bicyclosesquiphellandrene usage levels up to :
  1.0000 % in the fragrance concentrate.

safety links :
 
 
chemidplus :54324-03-7
EPA Substance Registry Services :54324-03-7
NLM Chemical Carcinogenesis Research Information System :54324-03-7
NLM Developmental and Reproductive Toxicity :54324-03-7
NLM Env. Mutagen Info. Center :54324-03-7
NLM GENetic TOXicology :54324-03-7
EPI System :view

other :

references :
pubchem :10526304
NIST Chemistry WebBook :3810326396
synonyms :
 bicyclosesquiphellandrene
(+)epi-bicyclosesquiphellandrene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagelemon verbena oil turkey @ 0.10%
data pagetea tree oil australia @ 0.51%



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