pentacosane
 
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IUPAC name :pentacosane
InChI :InChI=1/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChIKey :YKNWIILGEFFOPE-UHFFFAOYAK
SMILES :CCCCCCCCCCCCCCCCCCCCCCCCC
(EINECS) number :211-123-6
cas number :629-99-2
beilstein number :1763638
molar refractivity :117.87 ± 0.3 cm3
parachor :1026.7 ± 4.0 cm3
index of refraction :1.446 ± 0.02
surface tension :29.3 ± 3.0 dyne/cm
density :0.799 ± 0.06 g/cm3
polarizability :46.72 ± 0.5 10-24cm3
xlogp : 11.80
molecular weight : 352.6803800
formula :C25 H52
BioActivity Analysis :435910
 
 
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 : 53.00 to 54.00 °C. @ 760.00 mm Hg
boiling point : 401.00 to 402.00 °C. @ 760.00 mm Hg
boiling point : 169.00 to 170.00 °C. @ 0.05 mm Hg
logp : 12.62

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )

safety references :
EPI System :view
 
 
 pentacosane
(EINECS) number :211-123-6
chemidplus :000629992
EPA Substance Registry Services :629-99-2
NLM Chemical Carcinogenesis Research Information System :629-99-2
NLM Developmental and Reproductive Toxicity :629-99-2
NLM Env. Mutagen Info. Center :629-99-2
NLM GENetic TOXicology :629-99-2
dtp/nci :158663

references :
 pentacosane
pubchem :155728
NIST Chemistry WebBook :1266420359

other :
synonyms :
 pentacosane
N-pentacosane

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecabocla flower oil brazil @ 3.40%
coffee
data pageherniaria incana lam. oil greece @ 1.60%
data pagejambu flower oil brazil @ 0.30%
data pagenarcissus absolute @ 2.14%
data pagenepeta betonicifolia c.a. meyer oil turkey @ 0.70%
data pagethevetia peruviana (pers.) k. schum. flower oil brazil @ 0.60%
data pagewitch hazel leaf oil @ 10.99%



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