octadecane
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IUPAC name :octadecane
InChI :InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKey :RZJRJXONCZWCBN-UHFFFAOYAL
SMILES :CCCCCCCCCCCCCCCCCC
cas number :593-45-3
(EINECS) number :209-790-3
beilstein number :1740138
fl. number :01.074
molar refractivity :85.44 ± 0.3 cm3
parachor :748.2 ± 4.0 cm3
index of refraction :1.437 ± 0.02
surface tension :27.8 ± 3.0 dyne/cm
density :0.781 ± 0.06 g/cm3
polarizability :33.87 ± 0.5 10-24cm3
XlogP : 8.70
molecular weight : 254.4943200 (IUPAC)
formula :C18 H38
BioActivity Analysis :70574
NMR Predictor :Predict
 
 
export tariff code :2901.10.5000
fda reg :unspecified

Suppliers :
Sigma-Aldrich-Aldrich :Octadecane
99%
Vigon :Octadecane
99%

organoleptics :

properties :
appearence :white solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.77700 @ 25.00 °C.
melting point : 28.00 to 29.00 °C. @ 760.00 mm Hg
boiling point : 316.00 to 317.00 °C. @ 760.00 mm Hg
vapor pressure :1.00000 mm/Hg @ 119.00 °C.
vapor density :8.8 ( Air = 1 )
flash point : 330.00  °F.  TCC  ( 165.56 °C. )
logP (o/w) : 9.18

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 :
 

safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 octadecane
(EINECS) number :209-790-3
chemidplus :000593453
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :593-45-3
dtp/nci :4201

references :
 octadecane
fl. number :01.074
NIST Chemistry WebBook :1719760828
pubchem :154940

Cosmetics :
Cosmetic uses : emollients
perfuming agents
skin conditioning
solvents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
N-octadecane

soluble in :
 alcohol
 water, 0.006 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) used in :
 emollients
 skin conditioning
 solvents

natural occurrence in :
data pageboronia absolute @ 0.03%
data pagecassie absolute @ 0.15%
data pageeucalyptus camaldulensis dehn. leaf oil jerusalem @ 0.10%
data pagegrapefruit oil c.p. russia @ 0.02%
data pagegrapefruit oil c.p. russia @ 0.02%
data pagegrapefruit oil c.p. russia @ 0.03%
data pagegrapefruit oil c.p. russia @ 0.04%
data pageherniaria incana lam. oil greece @ 0.30%
data pageketaki flower oil india @ 0.40%
data pagelavender oil france @ trace%
data pagerosemary oil CO2 extract @ trace%
data pageulva rigida oil greece @ 3.30%
data pagewitch hazel leaf oil @ 0.12%



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