gamma-elemene
 
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IUPAC name :1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane
InChI :InChI=1/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3
InChIKey :BQSLMQNYHVFRDT-UHFFFAOYAE
SMILES :CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C
(EINECS) number :221-812-3
cas number :3242-08-8
molar refractivity :69.91 ± 0.3 cm3
parachor :550.2 ± 6.0 cm3
index of refraction :1.511 ± 0.02
surface tension :31.0 ± 3.0 dyne/cm
density :0.876 ± 0.06 g/cm3
polarizability :27.71 ± 0.5 10-24cm3
xlogp : 3.80
molecular weight : 204.3510600
formula :C15 H24
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 257.00 to 259.00 °C. @ 760.00 mm Hg
logp : 6.49

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 214.00  °F.  TCC  ( 101.11 °C. )
recommendation for gamma-elemene usage levels up to :
  3.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane
(EINECS) number :221-812-3
chemidplus :003242088
EPA Substance Registry Services :3242-08-8
NLM Chemical Carcinogenesis Research Information System :3242-08-8
NLM Developmental and Reproductive Toxicity :3242-08-8
NLM Env. Mutagen Info. Center :3242-08-8
NLM GENetic TOXicology :3242-08-8

references :
 1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane
pubchem :671323
NIST Chemistry WebBook :2553613089

other :
synonyms :
gamma-elemene
1-methyl-4-(1-methyl ethylidene)-2-(1-methyl vinyl)-1-vinyl cyclohexane
2-isopropenyl-1-methyl-4-(1-methyl ethylidene)-1-vinyl cyclohexane

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pageangelica root oil @ 0.06%
data pageangelica seed oil CO2 extract @ 1.30%
data pageanise seed oil star china @ 0.50%
data pagebetel leaf oil @ 0.89%
data pagecajuput oil vietnam @ trace%
data pagecananga oil china @ 0.22%
data pagecascarilla bark oil @ 0.31%
data pagecassis bud oil @ 0.00-1.62%
data pagecedrela wood oil @ 0.12%
data pagecurry wood leaf oil australia @ 0.10%
data pagegalangal root oil @ 0.08%
data pagehinoki leaf oil @ 0.39%
data pagehyptis spicigera lam. oil mali @ trace-0.30%
data pagejambu flower oil brazil @ 0.10%
data pagejuniper berry oil @ 2.90%
data pagekachur oil @ 1.70%
data pagelime oil distilled peru @ trace%
data pagelime oil expressed florida @ trace%
data pagemarjoram pot oil turkey @ 0.01-0.38%
data pageorange peel oil bitter china @ 0.04%
data pageparsley leaf oil cuba @ 0.21%
data pagepepper tree leaf oil @ trace%
data pagepeppermint oil CO2 extract @ 0.40%
data pagesavin oil @ 0.57%
data pagesavory oil winter @ 1.60%
data pagesavory oleoresin winter @ 1.60%
data pagetagete oil egypt @ 0.37%
data pagevalerian root oil @ 0.1-0.4%
data pagewormwood flower oil annus america @ 0.11%
data pagewormwood leaf oil annus america @ 0.40-0.66%



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