Docosane

Docosane
Compound Structure:
Synonyms: Docosane; Dokosan; Heneicosane, methyl-; Docosane;;n-Docosan
Compound ID: NMPC-976
PubChem ID:

12405

Molecular Formula: C22H46
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC
InChIKey: HOWGUJZVBDQJKV-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (97.56%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

First Aid

For eye exposure, immediately remove contact lenses if present and rinse the eyes with water or saline for 20-30 minutes while seeking medical advice. Avoid applying any substances to the eyes without medical instruction. After rinsing, promptly take the individual to the hospital, regardless of symptom presence. If skin contact occurs, quickly rinse the affected area with water, remove any contaminated clothing, and wash the skin with soap and water. Should irritation or redness appear, seek medical attention immediately and be ready to transport the individual to a medical facility. In case of inhalation, leave the contaminated environment at once and breathe in fresh air. If symptoms like coughing or shortness of breath arise, consult a doctor and prepare for hospital transportation. Use appropriate respiratory protection when entering potentially toxic atmospheres. For ingestion, do not induce vomiting. If the person is conscious and not having seizures, give them one or two glasses of water to dilute the chemical and call for medical help immediately. If unconscious or convulsing, keep their airway clear, position them on their side with the head lower than the body, and do not administer anything by mouth. Transport them to the hospital immediately.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

310.6 g/mol

XLogP3

11.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

19

Exact Mass

310.359951467 g/mol

Monoisotopic Mass

310.359951467 g/mol

Topological Polar Surface Area

0²

Heavy Atom Count

22

Formal Charge

0

Complexity

153

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

N-docosane is a solid. Insoluble in water. Used in organic synthesis, calibration, and temperature sensing equipment.

Boiling Point

369 °C

Melting Point

43.8 °C

Density

0.7944 at 68 °F (NTP, 1992) - Less dense than water; will float

Solubility 

Soluble in ethanol, chloroform; very soluble in ethyl ether

Vapor Pressure

1.28X10-6 mm Hg at 25 °C

Source: PubChem

          

Source Species: Acalypha segetalis
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