beta-copaene
 
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InChI :InChI=1/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14+,15+/m0/s1
InChIKey :UPVZPMJSRSWJHQ-HTXSYXIBBR
SMILES :CC(C)[C@@H]1CC[C@@]2(C3C1[C@H]2C(=C)CC3)C
cas number :18252-44-3
molar refractivity :64.80 ± 0.4 cm3
parachor :513.8 ± 6.0 cm3
index of refraction :1.505 ± 0.02
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
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 : 254.00 to 256.00 °C. @ 760.00 mm Hg
logp : 6.17

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 221.00  °F.  TCC  ( 105.00 °C. )

safety links :
 
 
chemidplus :018252443
EPA Substance Registry Services :18252-44-3
NLM Chemical Carcinogenesis Research Information System :18252-44-3
NLM Developmental and Reproductive Toxicity :18252-44-3
NLM Env. Mutagen Info. Center :18252-44-3
NLM GENetic TOXicology :18252-44-3
EPI System :view

other :

references :
pubchem :664358
NIST Chemistry WebBook :1013213751
synonyms :
4(15)-copaene
beta-copaene
1-methyl-3-methylene-8-(1-methyl ethyl)-tricyclo(4.4.0.0(2,7))decane stereoisomer

natural occurrence in :
data pageangelica root oil @ 0.16%
data pagebasil flower oil sweet @ 0.01%
data pagebasil leaf oil sweet (ocimum basilicum) @ 0.01%
data pagecassinia laevis flower oil australia @ 3.60%
data pagecassinia laevis leaf oil australia @ 4.30%
data pagegalangal root oil @ 0.01%
data pagegrapefruit oil c.p. russia @ 0.05%
data pagegrapefruit oil c.p. russia @ 0.05%
data pagegrapefruit oil c.p. russia @ 0.05%
data pagegrapefruit oil c.p. russia @ 0.05%
data pagegrapefruit oil california @ 0.11%
data pagejambu flower oil brazil @ 2.40%
data pagemanuka var. scoparium oil new zealand @ 0.37%
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.40%
data pageorange peel oil sweet c.p. florida @ 0.01%
data pageorange peel oil sweet c.p. valencia @ 0.02%
data pagepinus sylvestris l. needle oil estonia @ 0.10%
data pagetansy oil canada @ 0.10%
data pagewormseed oil spain @ 0.04%



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