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
cas number :630-03-5
(EINECS) number :211-126-2
beilstein number :1724922
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 (IUPAC)
formula :C29 H60
pherobase :view
NMR Predictor :Predict
 
 
export tariff code :2901.10.5000
fda reg :unspecified

Suppliers :
Sigma-Aldrich-Aldrich :Nonacosane
99%

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
boiling point : 286.00 °C. @ 15.00 mm Hg
flash point : 556.00  °F.  TCC  ( 291.11 °C. )
logP (o/w) : 14.58

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 nonacosane fragrance usage levels up to :
  9.0000 % in the fragrance concentrate.

safety references :
EPI System :view
Toxicology Citations :Search
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
nonacosane
(EINECS) number :211-126-2
chemidplus :000630035
EPA Substance Registry Services :630-03-5

references :
 
nonacosane
NIST Chemistry WebBook :1758191877
pubchem :155731

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

soluble in :
 alcohol
 water, 0.000000000276 mg/L @ 25C

insoluble in :
 water

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



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