beta-sesquiphellandrene
 
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IUPAC name :3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
InChI :InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15u/m0/s1
InChIKey :PHWISBHSBNDZDX-MLCCFXAWBV
SMILES :C[C@@H](CCC=C(C)C)C1CCC(=C)C=C1
cas number :20307-83-9
molar refractivity :68.53 ± 0.4 cm3
parachor :554.1 ± 6.0 cm3
index of refraction :1.482 ± 0.03
surface tension :28.3 ± 5.0 dyne/cm
density :0.85 ± 0.1 g/cm3
polarizability :27.17 ± 0.5 10-24cm3
xlogp : 4.70
molecular weight : 204.3510600
formula :C15 H24
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 100.00 %.  
herbal fruity woody

properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 270.00 to 272.00 °C. @ 760.00 mm Hg
logp : 6.52

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 226.00  °F.  TCC  ( 107.78 °C. )
recommendation for beta-sesquiphellandrene usage levels up to :
  3.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
chemidplus :20307-83-9
EPA Substance Registry Services :20307-83-9
NLM Chemical Carcinogenesis Research Information System :20307-83-9
NLM Developmental and Reproductive Toxicity :20307-83-9
NLM Env. Mutagen Info. Center :20307-83-9
NLM GENetic TOXicology :20307-83-9

references :
 3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
pubchem :39294549

other :
synonyms :
(S-(R*,S*))-3-(1,5-dimethyl-4-hexenyl)-6-methylene cyclohexene
(R)-3-methylene-6-((S)-6-methyl hept-5-en-2-yl) cyclohex-1-ene
beta-sesquiphellandrene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagealpinia galanga oil @ 1.60%
data pageboronia absolute @ 0.02%
data pagecajuput oil vietnam @ trace%
data pagecarrot seed oil @ 0.25%
data pageginger root oil brazil @ 7.00%
data pageginger root oil CO2 extract @ 6.81%
data pageginger root oil CO2 extract australia @ 8.18%
data pagejambu flower oil brazil @ 0.10%
data pagelime oil expressed florida @ trace%
data pagemayur pankh fruit oil himalaya @ 0.70%
data pageparsley leaf oil @ 8.51%
data pageparsley leaf oil cuba @ 1.04%
data pagethymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ 0.70%
data pageturmeric root oil CO2 extract @ 3.17%
data pageturmeric root oil vietnam @ 3.00%



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Html Last modified 11/29/2008