Pentacosane

Pentacosane
Compound Structure:
Synonyms: PENTACOSANE; n-Pentacosane ;629-99-2 ;N-PENTACOSANE-D52 ;UNII-BON9H94Y8V
Compound ID: NMPC-1384
PubChem ID:

12406
Molecular Formula: C25H52
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC
InChIKey: YKNWIILGEFFOPE-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

First Aid

• Eyes: Remove contact lenses, flush eyes with water, and seek medical help. Transport to hospital even without symptoms.

• Skin: Flood affected skin with water, wash with soap, and seek medical help if symptoms arise.

• Inhalation: Leave contaminated area, breathe fresh air, and seek medical help if symptoms occur. Provide respiratory protection and transport to hospital if possible.

• Ingestion: Do not induce vomiting. Offer water if conscious, call for medical help, and transport to hospital if advised. If unconscious, ensure open airway and transport to hospital without inducing vomiting. (NTP, 1992)
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

352.7 g/mol

XLogP3

13.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

22

Exact Mass

352.406901659 g/mol

Monoisotopic Mass

352.406901659 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

25

Formal Charge

0

Complexity

186

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

Constituent of many naturally occurring waxes. A colorless solid at ambient conditions.

 

Boiling Point

401.9 °C

Melting Point

53.3 °C

Solubility 

Soluble in benzene, chloroform

Vapor Pressure

1.51X10-6 mm Hg at 25 °C (extrapolated)

Source: PubChem       
Source Species: Anacardium occidentale
Annona senegalensis
Tithonia rotundifolia
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