n-Tetradecane

n-Tetradecane
Compound Structure:
Synonyms: Tetradecane; N-TETRADECANE; Tetradekan; Tridecane, methyl-; Tetradecane
Compound ID: NMPC-1332
PubChem ID:

12389

Molecular Formula: C14H30
Canonical SMILES: CCCCCCCCCCCCCC
InChIKey: BGHCVCJVXZWKCC-UHFFFAOYSA-N
About the compound:

Tetradecane is a straight chain alkane consisting of 14 carbon atoms. It has a role as a plant metabolite and a volatile oil component.

GHS Hazard Statements

H304 (99.88%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

First Aid

1. Eyes:

Remove contact lenses immediately.

Flush eyes with water for 15 minutes.

Avoid using oils or ointments.

Arrange for immediate transportation to a medical facility.

2. Skin:

Remove all contaminated clothing and flood the skin with water.

Wash affected areas thoroughly with soap and water.

Seek medical attention if symptoms persist or develop.

3. Inhalation:

Move the affected person to open air immediately.

Seek medical attention if symptoms develop.

4. Ingestion:

Do not attempt first aid if the exposed person is convulsing or unconscious; transport them immediately to a hospital.

If the victim is conscious, administer large volumes of liquid and induce vomiting.

Transport immediately to a medical facility (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

198.39 g/mol

XLogP3

7.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

11

Exact Mass

198.234750957 g/mol

Monoisotopic Mass

198.234750957 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

74

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-tetradecane is a colorless liquid. Must be preheated before ignition can occur. (NTP, 1992)

Boiling Point

253.57 °C

Melting Point

5.87 °C

Density

0.7628 g/cu cm at 25 °C

Solubility 

Very soluble in ether; soluble in carbon tetrachloride

Vapor Pressure

0.01 [mmHg]

Source: PubChem

Source Species: Carica papaya (C. papaya)
Cucumis melo
Dyschoriste perrottetii
Pachira glabra
Plumbago zeylanica
Solanum nigrum
Urena lobata
Irvingia gabonensis,
Morinda lucida
Pyrenacantha staudtii
Tecoma stans
Parkia biglobosa
Dioclea reflexa.
Capsicum annuum
Jatropha curcas
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