octadecene
 
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IUPAC name :octadec-1-ene
InChI :InChI=1/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
InChIKey :CCCMONHAUSKTEQ-UHFFFAOYAE
SMILES :CCCCCCCCCCCCCCCCC=C
(EINECS) number :204-012-9
cas number :112-88-9
molar refractivity :85.16 ± 0.3 cm3
parachor :737.2 ± 4.0 cm3
index of refraction :1.443 ± 0.02
surface tension :27.9 ± 3.0 dyne/cm
density :0.787 ± 0.06 g/cm3
polarizability :33.76 ± 0.5 10-24cm3
xlogp : 8.30
molecular weight : 252.4784400
formula :C18 H36
BioActivity Analysis :111520
 
 
export tariff code :2901.29.1010
fda reg :unspecified
 

organoleptics :

properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.78900 @ 25.00 °C.
refractive index :1.44400 @ 20.00 °C.
melting point : 16.00 to 18.00 °C. @ 760.00 mm Hg
boiling point : 314.00 to 315.00 °C. @ 760.00 mm Hg
boiling point : 179.00 °C. @ 15.00 mm Hg
logp : 9.04

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 300.00  °F.  TCC  ( 148.89 °C. )
recommendation for octadecene usage levels up to :
 not for fragrance use.
recommendation for octadecene usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 octadec-1-ene
(EINECS) number :204-012-9
chemidplus :112-88-9
EPA Substance Registry Services :112-88-9
NLM Chemical Carcinogenesis Research Information System :112-88-9
NLM Developmental and Reproductive Toxicity :112-88-9
NLM Env. Mutagen Info. Center :112-88-9
NLM GENetic TOXicology :112-88-9

references :
 octadec-1-ene
pubchem :112-88-9

other :
synonyms :
 octadecene
1-octadecene
alpha-octadecene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagebasil oil CO2 sweet @ trace%
data pagebasil oil sweet @ trace%
data pagecalamus leaf oil @ 0.04%
data pageviolet leaf absolute @ 10.60%



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