Benzene, 1, 3-dimethyl-

Benzene, 1, 3-dimethyl-
Compound Structure:
Synonyms: M-XYLENE;1,3-Dimethylbenzene;108-38-3;1,3-Xylene;meta-Xylene;m-Xylol;m-Dimethylbenzene;m-Methyltoluene;Benzene, 1,3-dimethyl-;3-Xylene;1,3-Dimethylbenzol;Santosol 150;m-Xylenes;2,4-Xylene;CCRIS 907
Compound ID: NMPC-634
PubChem ID:

7929

Molecular Formula: C8H10
Canonical SMILES: CC1=CC(=CC=C1)C
InChIKey: IVSZLXZYQVIEFR-UHFFFAOYSA-N
About the compound:

M-xylene, also referred to as meta-xylene, is a chemical variant of xylene distinguished by the placement of methyl groups at the 1st and 3rd positions on a benzene ring. This specific structural arrangement, where the two methyl groups are positioned in a meta configuration, sets it apart from its isomers, o-xylene and p-xylene, which differ in the arrangement of their methyl groups. Despite these differences in structure, m-xylene, along with its isomers, shares the same chemical formula, C6H4(CH3)2. As an aromatic hydrocarbon, m-xylene is a member of the broader group of compounds known collectively as xylenes. These isomers, though structurally varied, all exhibit similar physical properties: they are colorless and exhibit a high degree of flammability. The 'm-' prefix in m-xylene stands for 'meta-', indicating the specific pattern of arene substitution – a term referring to the way in which the methyl groups are attached to the benzene ring – that differentiates it from o-xylene (ortho-xylene) and p-xylene (para-xylene). This distinction is crucial in the chemical industry, as each isomer has unique properties and uses based on its molecular structure.

GHS Hazard Statements

H226: Flammable liquid and vapor [Warning Flammable liquids]

H312: Harmful in contact with skin [Warning Acute toxicity, dermal]

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

H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

106.16 g/mol

XLogP3

3.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

106.078250319 g/mol

Monoisotopic Mass

106.078250319 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

58.4

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

M-xylene appears as a colorless watery liquid with a sweet odor. Less dense than water. Insoluble in water. Irritating vapor. (USCG, 1999)

Boiling Point

282.4 °F at 760 mmHg (NTP, 1992)

Melting Point

-54.2 °F (NTP, 1992)

Density

0.864 at 68 °F (USCG, 1999)

Solubility 

p-Xylene and m-xylene cannot be separated by distillation because their boiling points are too close.

Vapor Pressure

10 mmHg at 82.9 °F (NTP, 1992)

Source: PubChem

Source Species: Annona senegalensis
Chenopodium ambrosioides
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