beta-bourbonene
 
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InChI :InChI=1/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3
InChIKey :YIRAHEODBQONHI-UHFFFAOYAP
SMILES :CC(C)C1CCC2(C1C3C2CCC3=C)C
cas number :5208-59-3
coe number :11931
jecfa number :1345
fl. number :01.024
molar refractivity :64.80 ± 0.4 cm3
parachor :513.8 ± 6.0 cm3
index of refraction :1.505 ± 0.03
surface tension :30.6 ± 5.0 dyne/cm
density :0.93 ± 0.1 g/cm3
polarizability :25.69 ± 0.5 10-24cm3
xlogp : 4.90
molecular weight : 204.3510600
formula :C15 H24
BioActivity Analysis :144761
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor strength :medium
odor description :
at 100.00 %.  
herbal woody
properties : 
appearence :colorless to pale yellow clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89900 - 0.90800 @ 25.00 °C.
pounds per gallon - calc. : 7.481 to 7.555
refractive index :1.50000 - 1.50700 @ 20.00 °C.
boiling point : 121.00 °C. @ 11.00 mm Hg
boiling point : 255.00 - 256.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 6.70
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 220.00  °F.  TCC  ( 104.44 °C. )
  
recommendation for beta-bourbonene usage levels up to :
  5.0000 % in the fragrance concentrate.
  
safety links : 
chemidplus :5208-59-3
epa-srs :5208-59-3
dtp/nci :288727
  
other : 
 
references : 
pubchem :10362868
  
synonyms :
(-)-beta-bourbonene
beta-bourbonene
1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene cyclobuta(1,2:3,4)dicyclopentene
(1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-decahydro-3a-methyl-6-cyclobuta(1,2:3,4)dicyclopentene
 decahydroisopropyl methyl methylene cyclobuta(1,2:3,4)dicyclopentene
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagebasil oil sweet poland @ 0.70%
bergamot plant wild
data pagecalamintha nepeta (l.) savi subsp. glandulosa oil greece @ trace%
data pagecalamus leaf oil @ 0.05%
data pagecarrot leaf oil @ 0.99%
data pagecitronella oil ceylon @ 0.18%
data pagecitronella oil china @ 0.12%
data pagecitronella oil java @ 0.10%
clary sage oil
data pageclary sage oil france @ trace%
data pageclary sage oil greece @ 0.15%
data pageclary sage oil spain @ 0.27%
cornmint oil
data pagecroton cajucara benth. leaf oil brazil @ 2.00%
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.30%
data pagecurry wood leaf oil australia @ 0.20%
data pageeucalyptus globulus bud oil @ 1.57%
data pageeucalyptus globulus fruit oil @ 2.40%
data pagegeranium leaf oil india @ 0.45%
data pagegeranium oil rwanda @ 0.54%
data pagegeranium petiole oil india @ 0.08%
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.80%
data pagegeranium stem oil india @ 0.15%
ginger
data pagehyptis spicigera lam. oil mali @ 0.10-0.20%
data pagehyssop oil @ 1.2%
data pagelallemantia peltata (l.) fisch. et mey. oil turkey @ 6.90%
data pagelavender oil spike spain @ 0.19%
lemon balm
data pagelemon verbena oil morocco @ 0.8%
data pagelemon verbena oil turkey @ 0.56%
data pagemarjoram oil sweet cuba @ 0.10%
data pagemarsypianthes chamaedrys (vahl) kuntze oil brazil @ 1.40%
data pagemelissa oil slovak republic @ 0.06%
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.80%
data pagenepeta betonicifolia c.a. meyer oil turkey @ 2.90%
data pagenepeta racemosa lam. oil iran @ 0.50%
data pageorthodon dianthera maxim. oil vietnam @ trace%
pennyroyal oil
data pagepennyroyal oil @ trace%
data pagepennyroyal oil cuba @ 0.10%
peppermint oil
data pagepeppermint oil CO2 extract @ 0.70%
data pagephlomis fruticosa l. flower oil greece @ 2.60%
data pagepine needle oil dwarf @ 0.13%
data pagepinus sylvestris l. needle oil estonia @ 0.10%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ trace%
data pagepolyalthia australis (benth.) jessup leaf oil australia @ 0.30%
data pageprangos uloptera dc. oil iran @ 0.40%
data pageprangos uloptera dc. seed oil iran @ 0.90%
data pageprotium heptaphyllum (aubl.) march resin oil brazil @ 0.30%
data pagesage oil albania @ trace%
data pagesatureja viminea l. oil costa rica @ trace%
data pagespearmint oil america @ 0.91-1.24%
data pagestachys recta l. oil serbia @ 2.90%
data pagetansy oil canada @ 0.10%
data pagethyme oil red spain @ trace%
data pagethyme oil wild or creeping france @ 0.24%
data pagethymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ 0.60%
data pagexylopia aromatica (lam.) mart. leaf oil cuba @ 0.10%
data pagezanthoxylum bracchyacanthum l. leaf oil australia @ trace%



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