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
cas number :630-02-4
(EINECS) number :211-125-7
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
NMR Predictor :Predict
 
 
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
vapor density :13.6 ( Air = 1 )
flash point : 536.00  °F.  TCC  ( 280.00 °C. )
logP (o/w) : 14.09

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
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
Chemical Carcinogenesis Research Information System :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 octacosane
(EINECS) number :211-125-7
chemidplus :000630024
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :630-02-4
dtp/nci :5549

references :
 octacosane
NIST Chemistry WebBook :1613747298
pubchem :155730

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
N-octacosane

soluble in :
 alcohol
 water, 0.000000000884 mg/L @ 25C

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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