octacosane
 
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IUPAC name :octacosane
InChI :InChI=1/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey :ZYURHZPYMFLWSH-UHFFFAOYAH
SMILES :CCCCCCCCCCCCCCCCCCCCCCCCCCCC
(EINECS) number :211-125-7
cas number :630-02-4
beilstein number :1770570
molar refractivity :131.76 ± 0.3 cm3
parachor :1146.1 ± 4.0 cm3
index of refraction :1.449 ± 0.02
surface tension :29.7 ± 3.0 dyne/cm
density :0.804 ± 0.06 g/cm3
polarizability :52.23 ± 0.5 10-24cm3
xlogp : 13.30
molecular weight : 394.7601200
formula :C28 H58
BioActivity Analysis :71647
 
 
export tariff code :2901.10.5000
fda reg :unspecified
 

organoleptics :

properties :
appearence :white solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 60.00 to 65.00 °C. @ 760.00 mm Hg
boiling point : 431.00 to 432.00 °C. @ 760.00 mm Hg
boiling point : 278.00 °C. @ 15.00 mm Hg
logp : 14.09

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 536.00  °F.  TCC  ( 280.00 °C. )
recommendation for octacosane usage levels up to :
  9.0000 % in the fragrance concentrate.
recommendation for octacosane usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 octacosane
(EINECS) number :211-125-7
chemidplus :000630024
EPA Substance Registry Services :630-02-4
NLM Chemical Carcinogenesis Research Information System :630-02-4
NLM Developmental and Reproductive Toxicity :630-02-4
NLM Env. Mutagen Info. Center :630-02-4
NLM GENetic TOXicology :630-02-4
dtp/nci :5549

references :
 octacosane
pubchem :155730
NIST Chemistry WebBook :1613747298

other :
synonyms :
 octacosane
N-octacosane

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecabocla flower oil brazil @ 0.70%
data pageherniaria incana lam. oil greece @ 1.70%
data pageketaki flower oil india @ trace%
data pagewitch hazel leaf oil @ 1.75%



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