delta-elemene
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene
InChI :InChI=1/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3
InChIKey :MXDMETWAEGIFOE-UHFFFAOYAH
SMILES :CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C
cas number :20307-84-0
coe number :10996
fl. number :01.039
molar refractivity :69.90 ± 0.3 cm3
parachor :551.9 ± 6.0 cm3
index of refraction :1.507 ± 0.02
surface tension :30.6 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :27.71 ± 0.5 10-24cm3
xlogp : 4.20
molecular weight : 204.3510600
formula :C15 H24
 
 
fda reg :unspecified h. number :unspecified
 
organoleptics : 
odor strength :medium
odor description :
at 100.00 %.  		woody
properties : 
appearence :colorless to yellow clear liquid
assay : 80.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 254.00 - 255.00 °C. @ 760.00 mm Hg
boiling point : 107.00 °C. @ 10.00 mm Hg
logp : 6.45
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 211.00  °F.  TCC  ( 99.44 °C. )
  
recommendation for delta-elemene usage levels up to :
  3.0000 % in the fragrance concentrate.
  
safety links : 
chemidplus :020307840
epa-srs :20307-84-0
  
other : 
 
references : 
fl. number :01.039
pubchem :666094
NIST Chemistry WebBook :2861034751
  
synonyms :
1,3,6-elematriene
delta-elemene
(3R-(E))-4-ethenyl-4-methyl-3-(1-methyl ethenyl)-1-(1-methyl ethyl) cyclohexene
(3R-trans)-4-ethenyl-4-methyl-3-(1-methyl ethenyl)-1-(1-methyl ethyl) cyclohexene
(1S,2R)-(-)-2-isopropenyl-1-vinyl-para-menth-3-ene
natural occurrence in :
data pageangelica root oil @ 0.42%
data pagebaccharis coridifolia oil argentina @ 0.10%
data pagebasil oil CO2 sweet @ trace%
data pagebasil oil sweet @ trace%
data pagebergamot oil @ 0.000-0.007%
data pageboronia absolute @ 0.01%
data pagecajuput oil vietnam @ trace%
data pagecalamus leaf oil @ 0.21%
data pagecalamus root oil mongolia @ 0.50%
data pagecananga leaf oil @ 1.1%
data pagecassis bud oil @ trace-0.24%
data pagecedrela wood oil @ 0.44%
data pagechamomile oil morocco @ 0.70%
data pagecitronella oil ceylon @ 0.03%
data pagecitronella oil china @ 0.01%
data pagecitronella oil java @ 0.01%
data pageclary sage oil spain @ trace%
data pagecroton cajucara benth. leaf oil brazil @ 0.30%
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.30%
data pagecubeb oil @ 0.10%
data pagecurcuma amada roxb. rhizome oil india @ 0.20%
data pagecurry wood leaf oil australia @ 0.40%
data pageginger root oil china @ 0.10%
data pageginger root oil CO2 extract australia @ 0.23%
data pageguava leaf oil cuba @ trace%
data pagejambu flower oil brazil @ 0.30%
data pagekachur oil @ 0.20%
data pagelavender oil france @ trace%
data pagelime oil distilled mexico @ 0.06%
data pagelime oil distilled peru @ 0.05%
data pagelime oil expressed florida @ 0.1%
data pagemandarin oil uruguay @ 0.01%
data pagemarjoram oil sweet cuba @ trace%
data pagemarjoram oil sweet cyprus @ trace-0.20%
data pagemarjoram oil sweet turkey @ 0.03-0.04%
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 @ 0.50%
data pageocimum gratissimum l. oil brazil @ 0.17%
data pageorange peel oil bitter china @ 0.01%
data pagepatchouli oil china @ 0.04%
data pagepepper oil black india @ 0.10%
data pagephlomis fruticosa l. flower oil greece @ 0.20%
data pagephoebe oil brazil @ 0.06%
data pagepiper cernum vell. var. cernum yuncker leaf oil brazil @ 0.20%
data pagepolyalthia australis (benth.) jessup leaf oil australia @ 0.40%
data pagesalvia atropatana bunge oil iran @ 1.10%
data pagesavin oil @ 0.36%
data pagesideritis montana l. oil bulgaria @ 5.60%
data pagesideritis scardica l. oil bulgaria @ 0.80%
data pagesideritis syriaca l. oil bulgaria @ 1.50%
data pagetagete oil CO2 extract @ 3.00%
data pagevalerian root oil @ 0.2-2.9%
data pagevalerian root oil CO2 extract china @ 0.08%
data pagevassoura oil @ 0.40%
data pageyarrow oil @ 0.10%
data pageylang ylang oil CO2 extract @ 0.02%
data pageyuzu peel oil c.p. @ 0.01-0.02%
data pageyuzu peel oil CO2 extract @ 0.01-0.02%



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