beta-selinene
organoleptics  properties  safety  references    Home Page
Notes :
Isolated from aerial parts of Ligusticum chuanxiong.
 
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IUPAC name :(3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
InChI :InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m0/s1
InChIKey :YOVSPTNQHMDJAG-ZNMIVQPWBZ
SMILES :CC(=C)[C@H]1CC[C@@]2(CCCC(=C)[C@H]2C1)C
cas number :17066-67-0
molar refractivity :66.45 ± 0.4 cm3
parachor :534.8 ± 6.0 cm3
index of refraction :1.488 ± 0.03
surface tension :29.0 ± 5.0 dyne/cm
density :0.88 ± 0.1 g/cm3
polarizability :26.34 ± 0.5 10-24cm3
XlogP : 4.50
molecular weight : 204.3510600
formula :C15 H24
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :medium
odor description :
at 100.00 %.  		herbal
properties :
assay : 94.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 260.00 to 263.00 °C. @ 760.00 mm Hg
flash point : 216.00  °F.  TCC  ( 102.22 °C. )
logP (o/w) : 6.46
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for beta-selinene usage levels up to :
  3.0000 % in the fragrance concentrate.
safety references :
EPI System :view
 
 
 
 (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
chemidplus :017066670
EPA Substance Registry Services :17066-67-0
references :
 (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
NIST Chemistry WebBook :17066670
pubchem :170731
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(4aR- (4aalpha,7alpha, 8abeta))-decahydro-4a-methyl-1-methylene-7-(1-methyl ethenyl) naphthalene
 eudesma-4(14),11-diene
beta-eudesmene
(3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
 selina-4(14),11-diene
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 artichoke
 celery
natural occurrence in :
data pageajowan seed oil turkey @ trace%
data pageangelica seed oil CO2 extract @ 3.50%
data pagebaccharis coridifolia oil argentina @ 8.20%
data pagebasil flower oil sweet @ 2.51%
data pagebasil leaf oil sweet (ocimum basilicum) @ 0.54%
data pagebay leaf oil @ 0.00-0.33%
data pagecajuput oil @ 0.9%
data pagecajuput oil vietnam @ 1.5%
data pagecallitris columellaris wood oil australia @ 0.90%
data pagecallitris glaucophylla wood oil australia @ 0.30%
data pagecallitris intratropica wood oil australia @ 2.20%
data pagecarrot seed oil @ 0.23%
data pagecarrot seed oil spain @ 0.25-1.99%
data pagecascarilla bark oil @ 0.58%
data pagecassinia laevis flower oil australia @ 2.20%
data pagecassinia laevis leaf oil australia @ 3.50%
data pagecedarwood oil atlanta @ 0.80%
data pagecedarwood oil china @ 0.20%
data pagecedarwood oil virginia @ 0.10%
data pagecelery leaf oil @ 3.70%
data pagecelery seed oil CO2 extract india @ 17.59%
data pagecelery seed oil egypt @ 8.10%
data pagecelery seed oil india @ 20.76%
data pagechamomile flower oil germany @ trace%
data pagechamomile oil morocco @ 0.30%
data pagecurcuma amada roxb. rhizome oil india @ 0.60%
data pagecurry wood leaf oil australia @ 0.40%
data pagecypress cone oil egypt @ trace%
data pageerigeron graveolens l. oil iran @ 1.60%
data pageeucalyptus globulus oil @ 0.19%
data pageeucalyptus globulus pseudoglobulus oil @ 0.28%
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.30%
data pageginger root oil CO2 extract @ trace%
data pagekachur oil @ 1.00%
data pagelaurel leaf oil turkey @ 0.30%
data pagelaurel leaf oil turkey @ 5.20%
data pagelime oil CO2 extract mexico @ 3.15%
data pagelime oil distilled mexico @ 0.01%
data pagelovage root oil @ 5.92%
data pagemandarin oil italy @ trace%
data pagemanuka var. eximium oil australia @ 0.30%
data pagemanuka var. scoparium oil new zealand @ 3.67%
data pagemikan peel oil @ trace%
data pagepepper oil black india @ 0.10%
data pagepetitgrain grapefruit oil @ 1.20%
data pagepetitgrain lime oil @ 0.10%
data pagephoebe oil brazil @ 1.15%
data pagepimento berry oil @ trace%
data pagepimento berry oil CO2 extract jamaica @ trace%
data pagepolyalthia australis (benth.) jessup leaf oil australia @ 1.50%
data pageprangos uloptera dc. oil iran @ 1.70%
data pageprotium heptaphyllum (aubl.) march leaf oil brazil @ 2.50%
data pagerose oil otto bulgaria @ 0.53%
data pagesage oil reunion @ trace%
data pagesavin oil @ 0.41%
data pagesugandha kokila berry oil @ 1.00%
data pagesundacarpus amarus (blume) c.n. page leaf oil australia @ 67.70%
data pagezanthoxylum nitidum l. leaf oil australia @ 3.80%



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