1,2,4,5-Tetramethylbenzene

Compound Structure:

Synonyms:

1,2,4,5-TETRAMETHYLBENZENE;95-93-2;Durene;Durol;Benzene, 1,2,4,5-tetramethyl-;p-Xylene, 2,5-dimethyl-;1,2,4,5-tetramethyl-benzene;CHEBI:38978;181426CFYB;NSC-6770;DTXCID309124;CAS-95-93-2;NSC 6770;EINECS 202-465-7;Duren;UNII-181426CFYB

Compound ID:

NMPC-639

PubChem ID:

7269

Molecular Formula:

C10H14

Canonical SMILES:

CC1=CC(=C(C=C1C)C)C

InChIKey:

SQNZJJAZBFDUTD-UHFFFAOYSA-N

About the compound:

Durene, or 1,2,4,5-tetramethylbenzene, is an organic compound with the formula C6H2(CH3)4. It is a colourless solid with a sweet odor. The compound is classified as an alkylbenzene. It is one of three isomers of tetramethylbenzene, the other two being prehnitene (1,2,3,4-tetramethylbenzene) and isodurene (1,2,3,5-tetramethylbenzene). Durene has an unusually high melting point (79.2 °C), reflecting its high molecular symmetry. https://en.wikipedia.org/wiki/Durene

GHS Hazard Statements

• H228 (97.41%): Flammable solid [Danger Flammable solids]

• H413 (73.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

First Aid Measures

Eye Exposure:

• Remove contact lenses if worn, rinse eyes with water or saline for 20-30 minutes.

• Call for medical help and avoid applying any substances to the eyes without professional direction.

Skin Contact:

• Rinse affected skin with water, remove contaminated clothing, and wash skin with soap.

• Seek medical attention if redness or irritation occurs.

Inhalation:

• Move victim to fresh air, contact a physician if symptoms like wheezing or coughing arise.

• Rescuers should use appropriate respiratory protection, preferably SCBA.

Ingestion:

• Do not induce vomiting, dilute with water if conscious, and contact a hospital or poison control center.

• If unconscious or convulsing, ensure clear airway, do not give anything by mouth, and transport to a hospital immediately (Adapted from 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	134.22 g/mol
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	134.109550447 g/mol
Monoisotopic Mass	134.109550447 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	80.6
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	1,2,4,5-tetramethylbenzene appears as colorless crystals with a camphor-like odor. (NTP, 1992)
Boiling Point	386.2 °F at 760 mmHg (NTP, 1992)
Melting Point	174.6 °F (NTP, 1992)
Density	0.8875 at 68 °F (NTP, 1992)

Source: PubChem

Source Species:

Artocarpus altilis.
Carica papaya (C. papaya)
Cucumis melo
Hibiscus asper

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