beta-elemene
 
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IUPAC name :(1R,2R,4S)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane
InChI :InChI=1/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m0/s1
InChIKey :OPFTUNCRGUEPRZ-ZNMIVQPWBQ
SMILES :CC(=C)[C@H]1CC[C@]([C@H](C1)C(=C)C)(C)C=C
(EINECS) number :251-713-0
cas number :33880-83-0
molar refractivity :69.81 ± 0.3 cm3
parachor :553.5 ± 6.0 cm3
index of refraction :1.501 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.862 ± 0.06 g/cm3
polarizability :27.67 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 204.3510600
formula :C15 H24
 
 
export tariff code :unspecified
fda reg :unspecified
 
 
organoleptics :
odor strength :medium
odor description :
at 100.00 %.  		herbal waxy fresh
properties :
assay : 92.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 251.00 - 253.00 °C. @ 760.00 mm Hg
logp : 6.63
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 209.00  °F.  TCC  ( 98.33 °C. )
  
recommendation for beta-elemene usage levels up to :
  4.0000 % in the fragrance concentrate.
  
safety links :
(EINECS) number :251-713-0
chemidplus :33880-83-0
epa-srs :33880-83-0
  
other :
 
references :
pubchem :45281390
  
synonyms :
beta-elemene
(1alpha,2beta,4beta)-1-ethenyl-1-methyl-2,4-bis(1-methyl ethenyl) cyclohexane
(1R,2R,4S)-1-ethenyl-1-methyl-2,4-bis(1-methyl ethenyl) cyclohexane
(1alpha,2,4)-1-methyl-2,4-bis(methyl vinyl)-1-vinyl cyclohexane
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 butyl levulinate
(-)-alpha-cubebene
alpha-hexyl cinnamaldehyde
 octyl acetate
natural occurrence in :
data pageallamanda cathartica linn. flower oil brazil @ 0.50%
data pageamyris wood oil @ 0.10%
data pageangelica seed oil CO2 extract @ trace%
data pageanise seed oil star china @ 0.04%
data pagearmoise oil morocco @ 1.7%
data pagebaccharis coridifolia oil argentina @ 1.20%
data pagebackhousia citriodora f. muell. leaf oil @ 0.10%
data pagebasil absolute sweet @ 0.48%
data pagebasil flower oil sweet @ 0.73%
data pagebasil leaf oil sweet (ocimum basilicum) @ 0.90%
data pagebasil oil CO2 sweet @ trace%
data pagebasil oil sweet @ 0.96%
data pagebasil oil sweet egypt @ 0.11%
data pagebasil oil sweet poland @ 0.86%
data pagebasil oil var. glabratum turkey @ 0.30%
data pagebay leaf oil @ 0.00-0.20%
data pagebergamot mint oil @ 0.0-0.3%
data pagecabocla flower oil brazil @ 1.70%
data pagecajuput oil vietnam @ 0.3%
data pagecalamus leaf oil @ 0.79%
data pagecalamus rhizome oil @ 0.48%
data pagecalamus root oil @ 0.29%
data pagecalamus root oil mongolia @ 0.50%
data pagecallitris intratropica wood oil australia @ 0.50%
data pagecamel grass oil @ trace%
data pagecananga leaf oil @ 1.4%
data pagecascarilla bark oil @ 1.63%
data pagecassis bud oil @ trace-0.14%
data pagecedrela wood oil @ 0.10%
data pagecelery seed oil CO2 extract india @ 0.04%
data pagecelery seed oil india @ 0.07%
data pagechampaca concrete @ 0.58%
data pagecinnamomum fragrans baillon leaf oil madagascar @ trace%
data pagecinnamon leaf oil ceylon @ 0.34%
data pagecitronella oil ceylon @ 1.10%
data pagecitronella oil china @ 2.80%
data pagecitronella oil java @ 1.96%
data pageclary sage oil spain @ 0.43%
data pagecroton cajucara benth. leaf oil brazil @ 0.70%
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.80%
data pagecurcuma amada roxb. rhizome oil india @ 2.80%
data pagecurry fruit oil india @ <0.05%
data pagecurry leaf oil india @ 0.20%
data pagecurry wood leaf oil australia @ 0.60%
data pageechinophora cinerea oil iran @ 0.10%
data pagegalangal root oil @ 0.30%
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.70%
data pageginger root oil brazil @ 0.90%
data pageginger root oil china @ 0.81%
data pageginger root oil CO2 extract australia @ 0.20%
data pagegrapefruit oil california @ 0.03%
data pagehyptis spicigera lam. oil mali @ 0.10-0.20%
data pagejuniper berry oil @ 1.10%
data pagekachur oil @ 3.30%
data pagelaurel leaf oil turkey @ 0.60%
data pagelemongrass oil @ 0.13%
data pagelemongrass oil @ 0.15%
data pagelime oil CO2 extract mexico @ 0.13%
data pagelime oil distilled mexico @ trace%
data pagelime oil distilled peru @ 0.06%
data pagelime oil expressed florida @ 0.1%
data pagemandarin oil uruguay @ 0.01%
data pagemanuka var. eximium oil australia @ 0.10%
data pagemanuka var. scoparium oil new zealand @ 0.55%
data pagemarsypianthes chamaedrys (vahl) kuntze oil brazil @ 2.50%
data pagemikan peel oil @ trace%
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 2.10%
data pageocimum gratissimum l. oil brazil @ 2.03%
data pageorange peel oil bitter china @ trace%
data pageorange peel oil bitter italy @ 0.01%
data pageorthodon dianthera maxim. oil vietnam @ 0.20%
data pagepalmarosa oil @ 0.10%
data pageparsley leaf oil @ 1.59%
data pageparsley leaf oil cuba @ 0.61%
data pagepatchouli oil @ 6.08%
data pagepepper oil black india @ trace%
data pagepepper tree berry oil @ 0.52%
data pagepepper tree leaf oil @ 0.01%
data pagepeppermint oil CO2 extract @ 0.90%
data pagepersea americana mill. fruit oil cuba @ trace%
data pagepetitgrain combava oil @ trace%
data pagepetitgrain grapefruit oil @ trace%
data pagepetitgrain mandarin oil @ 1.28%
data pagepetitgrain sweet oil @ 0.03%
data pagephlomis fruticosa l. flower oil greece @ 0.30%
data pagephoebe oil brazil @ 0.44%
data pagepine needle oil dwarf @ 4.81%
data pagepinus sylvestris l. needle oil estonia @ 0.30%
data pagepiper cernum vell. var. cernum yuncker leaf oil brazil @ 0.60%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 0.10%
data pagepolyalthia australis (benth.) jessup leaf oil australia @ 1.00%
data pagerose oil otto bulgaria @ 0.08%
data pagesalvia atropatana bunge oil iran @ 1.40%
data pagesavin oil @ 0.62%
data pagesideritis montana l. oil bulgaria @ 2.00%
data pagesideritis scardica l. oil bulgaria @ 0.50%
data pagespearmint oil america @ 0.06-0.23%
data pagesugandha kokila berry oil @ 0.30%
data pagetansy oil marocco @ 0.40%
data pagethevetia peruviana (pers.) k. schum. flower oil brazil @ 0.50%
data pageturmeric root oil vietnam @ 0.05%
data pagevalerian root oil @ 0.1-0.4%
data pagevalerian root oil CO2 extract china @ 0.07%
data pagevassoura oil @ 1.60%
data pagexylopia aromatica (lam.) mart. leaf oil cuba @ 0.20%
data pageyarrow leaf oil @ 0.60%
data pageyarrow oil @ trace%
data pageyarrow oil greece @ trace%
data pageyuzu leaf oil @ 0.19-0.39%
data pagezanthoxylum bracchyacanthum l. leaf oil australia @ 0.10%
data pagezanthoxylum nitidum l. leaf oil australia @ 2.00%
data pagezanthoxylum ovalifolium l. leaf oil australia @ 0.60%



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Html Last modified 10/29/2008