Methylcyclohexane

Methylcyclohexane
Compound Structure:
Synonyms: Methylcyclohexane; Cyclohexane, methyl-; Hexahydrotoluene; Cyclohexylmethane; Toluene hexahydride; Hexahydroxytoluene; Sextone B; Toluene, hexahydro-; Metylocykloheksan; 1-methylcyclohexane; 2-methylcyclohexane.
Compound ID: NMPC-1267
PubChem ID:

7962
Molecular Formula: C7H14
Canonical SMILES: CC1CCCCC1
InChIKey: UAEPNZWRGJTJPN-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

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

• H315: Causes skin irritation [Warning Skin corrosion/irritation]

• H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

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

First Aid

• If the chemical contacts the eyes, irrigate immediately with large amounts of water and seek medical attention.

• For skin contact, promptly wash with soap and water. Remove contaminated clothing if necessary and seek medical help.

• If inhaled, move to fresh air, provide respiratory support if needed, and seek medical attention promptly.

• If swallowed, seek medical attention immediately.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

98.19 g/mol

XLogP3

3.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

98.109550447 g/mol

Monoisotopic Mass

98.109550447 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

7

Formal Charge

0

Complexity

42

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

Methylcyclohexane appears as a clear colorless liquid with a petroleum-like odor. Flash point 25 °F. Less dense than water and insoluble in water. Vapors heavier than air.

Boiling Point

101 °C

Melting Point

-126.6 °C

Density

0.7694 @ 20 °C/4 °C

Solubility 

MISCIBLE WITH PETROLEUM ETHER, CARBON TETRACHLORIDE

Vapor Pressure

46.0 [mmHg]

Source: PubChem       
Source Species: Palisota hirsuta
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