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
XlogP3-AA : 4.70
molecular weight : 204.3510600 (IUPAC)
formula :C15 H24
BioActivity Analysis :144761
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Nanjing :beta-bourbonene
orders in chinese.
organoleptics :
odor strength :medium
odor description:
at 100.00 %.  		herbal woody
properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89900 to 0.90800 @ 25.00 °C.
pounds per gallon - calc. : 7.481 to 7.555
refractive index :1.50000 to 1.50700 @ 20.00 °C.
boiling point : 121.00 °C. @ 11.00 mm Hg
boiling point : 255.00 to 256.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 220.00  °F.  TCC  ( 104.44 °C. )
logP (o/w) : 6.70
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.20 (μg/capita/day)
Structure Class :I
 
recommendation for beta-bourbonene fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
 
 
chemidplus :005208593
EPA Substance Registry Services :5208-59-3
dtp/nci :288727
references :
fl. number :01.024
jecfa number :1345
NIST Chemistry WebBook :5208593
pubchem :144761
Flavornet :5208-59-3
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(-)-beta-bourbonene
4(15)-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
potential blenders :    note
 acetaldehyde citronellyl methyl acetalFR
 acetoxymethyl isolongifoleneFR
isoamyl salicylateFL/FR
 anise indeneFR
para-anisyl propanalFR
 basil oleoresin sweetFL/FR
3-benzyl-4-heptanoneFL/FR
 bergamot mint oilFR
beta-bisabololFL/FR
isoborneolFL/FR
 bornyl 2-methyl butyrateFL/FR
isobornyl acetateFL/FR
 bornyl butyrateFL/FR
delta-cadinene 
gamma-cadinene 
alpha-cadinol 
 campheneFL/FR
(+)-campheneFL/FR
dextro-camphorFL/FR
 cassis bud oilFL/FR
 cedrat peel oilFL/FR
 champaca flower oilFR
 cinnamon acroleinFL/FR
 cistus oilFL/FR
 citralFL/FR
 citral / methyl anthranilate schiff's baseFR
 citral diethyl acetalFL/FR
 citral propylene glycol acetalFL/FR
 citronella oilFL/FR
 citronellyl benzoateFL/FR
 citronellyl nitrileFR
 clary acetateFR
 clary propyl acetateFR
 clary sage resinFR
 coriander oleoresinFL
 costmary oilFR
 currant bud absolute blackFL/FR
isocyclocitralFL/FR
 cymbopogon citratus (dc.) stapf. oil cubaFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL
 elemi oilFL/FR
 formoxymethyl isolongifoleneFR
 geranyl nitrileCS
homogeranyl nitrileFR
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
 heptyl phenyl acetateFL/FR
 herbal acetalFR
 herbal careneFR
 herbal undecanoneFR
 hydroxymethyl isolongifolene 50% in dpgFR
 immortelle flower oilFR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 kauri-copal leaf oil 
 kauri-copal oil 
 lavender flower oil lithuaniaFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 lemon hexadieneFL/FR
 lemon oilFL/FR
 lemon oil c.p. furo coumarin freeFL/FR
 lemon oil distilledFL/FR
 lemon oil expressedFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lemongrass oil moroccoFL/FR
 lilac absoluteFR
 litsea cubeba oilFL/FR
 litsea cubeba oil terpenelessFL/FR
 marine formateFR
 methyl hexyl ketoneFL/FR
para-methyl hydratropaldehydeFL/FR
1-methyl pyrroleFL
gamma-muurolene 
 neroli ketoneFL/FR
 nonanalFL/FR
 nonisyl propionateFR
 ocimene oxiraneFR
 ocimenolFL/FR
 octyl phenyl acetateFL/FR
 origanum vulgare l. ssp. vulgare oil himalaya 
 parsley leaf oilFL/FR
 patchouli indeneFR
 pennyroyal oilFL/FR
 petitgrain bigarade oilFL/FR
 petitgrain oilFL/FR
 phenyl amyl alcoholFL/FR
 polylimoneneFL/FR
 prenyl salicylateFL/FR
para-isopropyl acetophenoneFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
 rhodinyl propionateFL/FR
 sclarene 
 sclareolFL/FR
 spruce oilFL/FR
 tansy leaf oil dutch 
 tansy oil argentinaFR
 tea leaf absoluteFL/FR
 tetrahydrocitralFL/FR
 thyme oil wild or creepingFL/FR
 tricyclodecenyl isobutyrateFR
 tricyclodecenyl propionateFR
 tricyclodecyl acetateFR
 trimethyl cyclohexeneFR
 verbena oilFL
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
 white ginger 
 woody ketoneFL/FR
natural occurrence in :    note
data pagebasil oil sweet poland @ 0.70% S
 bergamot plant wild S
data pagecalamintha nepeta (l.) savi subsp. glandulosa oil greece @ trace% S
data pagecalamus leaf oil @ 0.05% S
data pagecarrot leaf oil @ 0.99% S
data pagecitronella oil ceylon @ 0.18% S
data pagecitronella oil china @ 0.12% S
data pagecitronella oil java @ 0.10% S
 clary sage oil S
data pageclary sage oil france @ trace% S
data pageclary sage oil greece @ 0.15% S
data pageclary sage oil spain @ 0.27% S
 cornmint oil S
data pagecroton cajucara benth. leaf oil brazil @ 2.00% S
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.30% S
data pagecurry wood leaf oil australia @ 0.20% S
data pageeucalyptus globulus bud oil @ 1.57% S
data pageeucalyptus globulus fruit oil @ 2.40% S
data pagegeranium leaf oil india @ 0.45% S
data pagegeranium oil rwanda @ 0.54% S
data pagegeranium petiole oil india @ 0.08% S
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.80% S
data pagegeranium stem oil india @ 0.15% S
 ginger S
data pagehyptis spicigera lam. oil mali @ 0.10-0.20% S
data pagehyssop oil @ 1.2% S
data pagelallemantia peltata (l.) fisch. et mey. oil turkey @ 6.90% S
data pagelavender oil spike spain @ 0.19% S
 lemon balm S
data pagelemon verbena oil morocco @ 0.8% S
data pagelemon verbena oil turkey @ 0.56% S
data pagemarjoram oil sweet cuba @ 0.10% S
data pagemarsypianthes chamaedrys (vahl) kuntze oil brazil @ 1.40% S
data pagemelissa oil slovak republic @ 0.06% S
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.80% S
data pagenepeta betonicifolia c.a. meyer oil turkey @ 2.90% S
data pagenepeta racemosa lam. oil iran @ 0.50% S
data pageorthodon dianthera maxim. oil vietnam @ trace% S
 pennyroyal oil S
data pagepennyroyal oil @ trace% S
data pagepennyroyal oil cuba @ 0.10% S
 peppermint oil S
data pagepeppermint oil CO2 extract @ 0.70% S
data pagephlomis fruticosa l. flower oil greece @ 2.60% S
data pagepine needle oil dwarf @ 0.13% S
data pagepinus sylvestris l. needle oil estonia @ 0.10% S
data pageplectranthus glandulosus hook f. leaf oil cameroon @ trace% S
data pagepolyalthia australis (benth.) jessup leaf oil australia @ 0.30% S
data pageprangos uloptera dc. oil iran @ 0.40% S
data pageprangos uloptera dc. seed oil iran @ 0.90% S
data pageprotium heptaphyllum (aubl.) march resin oil brazil @ 0.30% S
data pagesage oil albania @ trace% S
data pagesatureja viminea l. oil costa rica @ trace% S
data pagespearmint oil america @ 0.91-1.24% S
data pagestachys recta l. oil serbia @ 2.90% S
data pagetansy oil canada @ 0.10% S
data pagethyme oil red spain @ trace% S
data pagethyme oil wild or creeping france @ 0.24% S
data pagethymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ 0.60% S
data pagexylopia aromatica (lam.) mart. leaf oil cuba @ 0.10% S
data pagezanthoxylum bracchyacanthum l. leaf oil australia @ trace% S

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