Methyl benzene

Methyl benzene
Compound Structure:
Synonyms: Toluene; Methylbenzene; Phenylmethane; Methacide; Methylbenzol; Benzene, methyl-; Methane, phenyl-; Tolueen; Toluolo; Phenyl methane; 1-Methylbenzene; Monomethyl benzene; Tolueno; Methyl-Benzene; p-Toluene; 4-Methylbenzene; Benzene, methyl
Compound ID: NMPC-1247
PubChem ID:

1140

Molecular Formula: C7H8
Canonical SMILES: CC1=CC=CC=C1
InChIKey: YXFVVABEGXRONW-UHFFFAOYSA-N
About the compound:

Toluene is a clear, colorless liquid with a distinctive smell, known for its wide range of applications and potential health effects:

Sources and Occurrence:

Toluene naturally occurs in crude oil and is also found in the tolu tree.

It is produced during the process of making gasoline from crude oil and coke from coal.

Industrial and Commercial Uses:

Toluene is extensively used in the manufacture of paints, paint thinners, fingernail polish, lacquers, adhesives, and rubber.

It also finds applications in printing and leather tanning processes, and in aviation and automotive fuels.

Chemical Properties:

Toluene has a flash point of 40 °F and is less dense than water, leading it to float on water.

It is insoluble in water and its vapors are heavier than air.

Chemically, it is the simplest member of the toluenes, consisting of a benzene core with a single methyl substituent, making it a mono-substituted benzene derivative.

Health and Safety Concerns:

Toluene may be toxic if inhaled, ingested, or upon skin contact.

It has roles as a non-polar solvent, a cholinergic antagonist, a neurotoxin, and a fuel additive.

It is sometimes used as a recreational inhalant in products like paint thinner, permanent markers, contact cement, and certain types of glue, which can cause severe neurological harm.

Regulatory Status:

Agencies like the Agency for Toxic Substances and Disease Registry (ATSDR) monitor and provide information on the health effects of toluene exposure.

Due to its potential health hazards, handling toluene requires careful adherence to safety guidelines to prevent toxic exposure. It is important for industries that use toluene to implement appropriate safety measures and for individuals to be aware of the risks associated with its use or misuse.

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]

H361d ***: Suspected of damaging the unborn child [Warning Reproductive toxicity]

H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

92.14 g/mol

XLogP3

2.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

92.062600255 g/mol

Monoisotopic Mass

92.062600255 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

Toluene appears as a clear colorless liquid with a characteristic aromatic odor. Flash point 40 °F. Less dense than water (7.2 lb / gal) and insoluble in water. Hence floats on water. Vapors heavier than air. May be toxic by inhalation, ingestion or skin contact. Used in aviation and automotive fuels, as a solvent, and to make other chemicals.

Boiling Point

110.6°C

Melting Point

-94.9°C

Density

0.87

Solubility 

Soluble in ethanol, benzene, diethyl ether, acetone, chloroform, glacial acetic acid and carbon disulfide

Vapor Pressure

28.4 [mmHg]

Source: PubChem            

Source Species: Schumanniophyton magnificum
Tabebuia Rosea
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