octacosane

octacosane
Compound Structure:
Synonyms: octacosane; Octacosane, n-; n-Octcosane
Compound ID: NMPC-1339
PubChem ID:

12408
Molecular Formula: C28H58
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIKey: ZYURHZPYMFLWSH-UHFFFAOYSA-N
About the compound:

Octacosane is a straight-chain alkane containing 28 carbon atoms. It has a role as a plant metabolite.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 7 of 7 companies. For more detailed information, please visit ECHA C&L website.

First Aid

If exposed:

EYES: Remove contact lenses if present, then flush eyes with water for 20-30 minutes. Call for medical help and transport to a hospital immediately, regardless of symptoms.

SKIN: Wash affected skin with water, remove contaminated clothing, and seek medical attention if redness or irritation occurs.

INHALATION: Leave contaminated area, breathe fresh air. If symptoms develop, seek medical help and provide respiratory protection. Use SCBA if possible.

INGESTION: Do not induce vomiting. If conscious, give water and seek medical help. If unconscious, ensure open airway and transport to hospital without inducing vomiting (NTP, 1992)

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

394.8 g/mol

XLogP3

14.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

25

Exact Mass

394.453851850 g/mol

Monoisotopic Mass

394.453851850 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

28

Formal Charge

0

Complexity

218

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

Waxy hydrocarbon, insoluble in water.

Boiling Point

432 °C

Melting Point

61.3 °C

Density

0.8067 g/cu cm at 20 °C

Solubility 

Miscible with acetone, soluble in benzene, chloroform

Vapor Pressure

1.6X10-9 mm Hg at 25 (extrapolated)

Source: PubChem       
Source Species: Plumbago zeylanica
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