4-tert-Butyl-O-xylene

• CAS: 7397-06-0
• Catalog Number: ACM7397060
• Category: Arenes
• Molecular Weight: 162.27
• Molecular Formula: C₁₂H₈
• Synonyms: 4-t-Butyl-o-xylene, 4-tert-Butyl-o-xylene, 425141_ALDRICH, LTBB003601, CID81881, FR-0870, Benzene, 4-(1,1-dimethylethyl)-1,2-dimethyl-, 7397-06-0, InChI=1/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H
• IUPAC Name: 4-tert-butyl-1,2-dimethylbenzene
• Canonical SMILES: CC1=C(C=C(C=C1)C(C)(C)C)C
• InChI Key: QRPPSTNABSMSCS-UHFFFAOYSA-N
• Boiling Point: 206-209ºC (737 torr)
• Flash Point: 82ºC
• Appearance: clear colorless liquid
• Exact Mass: 162.14100
• Hazard Statements: H302-H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: UN 3082 9 / PGIII
• Safety Description: S24/25
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C12H18.

What is the molecular weight of the compound?

The molecular weight is 162.27 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-tert-butyl-1,2-dimethylbenzene.

What is the InChI of the compound?

The InChI is InChI=1S/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H3.

What is the InChIKey of the compound?

The InChIKey is QRPPSTNABSMSCS-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC1=C(C=C(C=C1)C(C)(C)C)C.

What is the CAS number of the compound?

The CAS number is 7397-06-0.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number is 625-953-5.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID7064659.

Is the compound canonicalized?

Yes, the compound is canonicalized.