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
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