Cyclohexene

Cyclohexene
Compound Structure:
Synonyms: 1,2,3,4-Tetrahydrobenzene; 1,3,4-Tetrahydrobenzene; 1-Cyclohexene; 2-cyclohexen; 3,4,5,6-Tetrahydrobenzene; Benzene tetrahydride; Benzene, tetrahydro-; Benzenetetrahydride; cyclo hexane; Cyclohex-1-ene; cyclohexane N; cyclohexene; cyclo-hexene; Cyklohekse
Compound ID: NMPC-925
PubChem ID:

8079
Molecular Formula: C6H10
Canonical SMILES: C1CCC=CC1
InChIKey: HGCIXCUEYOPUTN-UHFFFAOYSA-N
About the compound:

Cyclohexene appears as a colorless liquid. Insoluble in water and less dense than water. Flash point 20 °F. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

• H304 (95%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

• H311 (39%): Toxic in contact with skin [Danger Acute toxicity, dermal]

• H411 (58%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

First Aid

• Eye Contact: Immediately irrigate the eyes with large amounts of water, lifting the lower and upper lids. Seek medical attention immediately.

• Skin Contact: Wash the contaminated skin with soap and water promptly. If the chemical penetrates clothing, remove the clothing and wash the skin. Seek medical attention promptly.

• Inhalation: Move the person to fresh air immediately. If breathing has stopped, perform artificial respiration. Keep the person warm and at rest. Seek medical attention as soon as possible.

• Ingestion: If the chemical has been swallowed, seek medical attention immediately (NIOSH, 2023).
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

82.14 g/mol

XLogP3

2.9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

82.078250319 g/mol

Monoisotopic Mass

82.078250319 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

6

Formal Charge

0

Complexity

45.1

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

Cyclohexene appears as a colorless liquid. Insoluble in water and less dense than water. Flash point 20 °F. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.

Boiling Point

83 °C

Melting Point

-103.5 °C

Density

0.8110 at 20 °C/4 °C

Solubility 

Miscible with ethanol, ether, acetone, and benzene

Vapor Pressure

89.0 [mmHg]

Source: PubChem
Source Species: Gossypium barbadense
Piper guineense
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