4-tert-Butyltoluene

• CAS: 98-51-1
• Catalog Number: ACM98511
• Category: Arenes
• Molecular Weight: 148.24
• Molecular Formula: C11H16
• Synonyms: p-tert-Butyltoluene
• Boiling Point: 191°C(lit.)
• Melting Point: -54°C
• Flash Point: 54°C
• Density: 0.8612
• Solubility: water, 2.969 mg/L @ 25 °C (est)
• Appearance: Colorless liquid
• Assay: 0.9999
• Complexity: 111
• Defined Atom Stereocenter Count: 0
• EC Number: 202-675-9
• Exact Mass: 148.1252
• Formal Charge: 0
• Hazard Statements: Xn,T,N
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• MDL Number: MFCD00008837
• Monoisotopic Mass: 148.1252
• Packaging: 1 kg
• Refractive Index: 1.491-1.493
• RIDADR: UN 2046 3 / PGIII
• Rotatable Bond Count: 1
• Safety Description: 16-26-36/37/39-45-28A-61
• Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
• Storage Conditions: Flammables area
• Supplemental Hazard Statements: H227-H302-H330-H335+H336-H360-H372-H373-H226-H302+H332-H315-H319-H335-H411-H401
• Symbol: GHS02,GHS06,GHS07,GHS08,GHS09
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 4.5

Custom Q&A

What is the molecular formula of 4-tert-butyltoluene?

The molecular formula of 4-tert-butyltoluene is C11H16.

What is the molecular weight of 4-tert-butyltoluene?

The molecular weight of 4-tert-butyltoluene is 148.24 g/mol.

What are some synonyms for 4-tert-butyltoluene?

Some synonyms for 4-tert-butyltoluene include p-tert-Butyltoluene and 1-(tert-Butyl)-4-methylbenzene.

What is the Computed Descriptors IUPAC Name of 4-tert-butyltoluene?

The IUPAC Name of 4-tert-butyltoluene is 1-tert-butyl-4-methylbenzene.

What is the InChI of 4-tert-butyltoluene?

The InChI of 4-tert-butyltoluene is InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3.

What is the InChIKey of 4-tert-butyltoluene?

The InChIKey of 4-tert-butyltoluene is QCWXDVFBZVHKLV-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-tert-butyltoluene?

The Canonical SMILES of 4-tert-butyltoluene is CC1=CC=C(C=C1)C(C)(C)C.

What is the CAS number of 4-tert-butyltoluene?

The CAS number of 4-tert-butyltoluene is 98-51-1.

What is the XLogP3 value of 4-tert-butyltoluene?

The XLogP3 value of 4-tert-butyltoluene is 4.5.

What is the topological polar surface area of 4-tert-butyltoluene?

The topological polar surface area of 4-tert-butyltoluene is 0Ų.