n-decane

n-decane
Compound Structure:
Synonyms: Decane; n-Decane; Nonane, methyl-; Decyl hydride; Normal-decane
Compound ID: NMPC-1294
PubChem ID:

15600

Molecular Formula: C10H22
Canonical SMILES: CCCCCCCCCC
InChIKey: DIOQZVSQGTUSAI-UHFFFAOYSA-N
About the compound:

N-decane, a component of hydrocarbon mixtures, has distinct chemical properties and uses:

Physical Properties:

N-decane appears as a colorless liquid with a flash point of 115 °F.

It is less dense than water and insoluble in water.

Its vapors are heavier than air and can be narcotic in high concentrations.

Chemical Structure:

Decane is an alkane hydrocarbon with the chemical formula C10H22.

The term 'decane' typically refers to normal-decane ("n-decane"), which has the formula CH3(CH2)8CH3. However, there are 75 possible structural isomers for decane, each with slightly different properties.

Uses and Applications:

N-decane is used as a solvent in various industrial applications and is involved in the synthesis of other chemicals.

Its characteristics as a nonpolar solvent make it useful in scenarios where water-soluble solvents are ineffective.

Occurrence and Significance:

Decane is present in small quantities in gasoline (petrol) and kerosene, usually making up less than 1% of the composition.

While it is a component of fuels, its significance as a chemical feedstock is relatively minor compared to some other alkanes.

The properties of n-decane, such as being a nonpolar solvent and its combustibility, make it a useful but potentially hazardous substance in various industrial contexts. Its low solubility in water and presence in fuel mixtures underscore its role in the petroleum industry.

GHS Hazard Statements

• H226 (91.89%): Flammable liquid and vapor [Warning Flammable liquids]

• H304 (92.73%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

First Aid

1. Eyes:

• Check and remove contact lenses if present.

• Flush the eyes with water or saline for 20-30 minutes while contacting a hospital or poison control center.

• Do not apply ointments, oils, or medications without a physician's instructions.

• Transport the victim to a hospital immediately after flushing, regardless of the presence of symptoms.

2. Skin:

• Immediately rinse the affected skin with water, removing all contaminated clothing.

• Wash the affected areas thoroughly with soap and water.

• Call a physician and prepare to transport the victim to a hospital if symptoms like redness or irritation occur.

3. Inhalation:

• Exit the contaminated area immediately and breathe fresh air.

• If symptoms such as wheezing, coughing, or throat irritation occur, call a physician and be ready to transport the victim to a hospital.

• Rescuers should use appropriate respiratory protection, ideally a Self-Contained Breathing Apparatus (SCBA), or at least protection equal to or greater than recommended under Protective Clothing.

4. Ingestion: 

• Do not induce vomiting.

• If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and contact medical help immediately.

• If the victim is convulsing or unconscious, keep the airway open, position them with their head lower than their body, and do not give anything by mouth.

• Transport the victim to a hospital immediately (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

142.28 g/mol

XLogP3

5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

7

Exact Mass

142.172150702 g/mol

Monoisotopic Mass

142.172150702 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

40

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-decane appears as a colorless liquid. Flash point 115 °F. Less dense than water and insoluble in water. Vapors heavier than air. In high concentrations its vapors may be narcotic. Used as a solvent and to make other chemicals.

Boiling Point

174.1 °C

Melting Point

-29.7 °C

Density

0.7255 g/cu cm at 25 °C

Vapor Pressure

1.43 [mmHg]

Source: PubChem            

Source Species: Mucuna sloanei
Plumbago zeylanica
Solanum nigrum
Urena lobata
Irvingia gabonensis,
Tecoma stans
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