n-Octadecane

n-Octadecane
Compound Structure:
Synonyms: Octadecane; n-Octadecane; Octadecan; Oktadekan; 1-(4-Chlorophenyl)-1,3-dihydro-2H-indol-2-one; Octadecane, n-
Compound ID: NMPC-1320
PubChem ID:

11635
Molecular Formula: C18H38
Canonical SMILES: CCCCCCCCCCCCCCCCCC
InChIKey: RZJRJXONCZWCBN-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H304 (99.49%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

First Aid

• If the chemical contacts the eyes, remove contact lenses, flush with water or saline for 20-30 minutes, and transport to a hospital immediately, even without symptoms.

• For skin exposure, flood with water, remove contaminated clothing, wash with soap, and seek medical help if redness or irritation develops.

• If inhaled, leave the area, breathe fresh air, use respiratory protection, and seek medical assistance for symptoms like wheezing.

• If swallowed, do not induce vomiting. Give water if conscious, seek medical advice, and transport to a hospital, avoiding oral intake if convulsing or unconscious (NTP, 1992).

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

254.5 g/mol

XLogP3

9.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

15

Exact Mass

254.297351212 g/mol

Monoisotopic Mass

254.297351212 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

112

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Clear liquid; [CAMEO] White, low melting solid; [MSDSonline]

Boiling Point

316 °C

Melting Point

28.17 °C

Density

0.7768 g/cu cm at 28 °C

Solubility 

Soluble in alcohol, acetone, ether, petroleum, coal tar hydrocarbons

Vapor Pressure

3.41X10-4 mm Hg at 25 °C

Source: PubChem
Source Species: Carica papaya (C. papaya)
Mucuna sloanei
Smilax kraussiana
Urena lobata
Irvingia gabonensis.
Mucuna pruriens
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