nonacosane
 
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IUPAC name :nonacosane
InChI :InChI=1/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
InChIKey :IGGUPRCHHJZPBS-UHFFFAOYAH
SMILES :CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(EINECS) number :211-126-2
cas number :630-03-5
molar refractivity :136.40 ± 0.3 cm3
parachor :1185.9 ± 4.0 cm3
index of refraction :1.450 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.805 ± 0.06 g/cm3
polarizability :54.07 ± 0.5 10-24cm3
xlogp : 13.70
molecular weight : 408.7867000
formula :C29 H60
 
 
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 : 62.00 to 64.00 °C. @ 760.00 mm Hg
boiling point : 440.00 to 441.00 °C. @ 760.00 mm Hg
logp : 14.58

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 556.00  °F.  TCC  ( 291.11 °C. )
recommendation for nonacosane usage levels up to :
  9.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 nonacosane
(EINECS) number :211-126-2
chemidplus :000630035
EPA Substance Registry Services :630-03-5
NLM Chemical Carcinogenesis Research Information System :630-03-5
NLM Developmental and Reproductive Toxicity :630-03-5
NLM Env. Mutagen Info. Center :630-03-5
NLM GENetic TOXicology :630-03-5

references :
 nonacosane
pubchem :155731
NIST Chemistry WebBook :1758191877

other :
synonyms :
 nonacosane
N-nonacosane

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
apocynum venetum leaf
data pagebasil oil CO2 sweet @ trace%
data pagebasil oil sweet @ trace%
coffee
data pageherniaria incana lam. oil greece @ 1.10%
data pagewitch hazel leaf oil @ 7.12%



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