beta-patchoulene
 
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InChI :InChI=1/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3
InChIKey :CSKINCSXMLCMAR-UHFFFAOYAN
SMILES :CC1CCC2=C1CC3CCC2(C3(C)C)C
(EINECS) number :208-182-5
cas number :514-51-2
molar refractivity :64.79 ± 0.4 cm3
parachor :510.9 ± 6.0 cm3
index of refraction :1.515 ± 0.03
surface tension :32.0 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :25.68 ± 0.5 10-24cm3
xlogp : 4.10
molecular weight : 204.3510600
formula :C15 H24
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :

properties :
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 260.00 - 262.00 °C. @ 760.00 mm Hg
logp : 6.37

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 211.00  °F.  TCC  ( 99.44 °C. )
  

safety links :
(EINECS) number :208-182-5
chemidplus :000514512
epa-srs :514-51-2
  

other :
 

references :
pubchem :679172
NIST Chemistry WebBook :1572639317
  
synonyms :
(1S-(1alpha,4alpha,7alpha))- 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene
(1S,4R,7R)- 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene
 octahydrotetramethyl methanoazulene
(-)-beta-patchoulene
beta-patchoulene
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagebasil flower oil sweet @ 0.79%
data pagebasil leaf oil sweet (ocimum basilicum) @ 0.90%
data pagepatchouli oil @ 13.75%
data pagepatchouli oil china @ 6.91%
data pagespikenard oil @ 0.70%
data pagetagete oil CO2 extract @ 0.10%
data pagetagete oil egypt @ 0.37%



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