4-Tert-Butylcatechol

• CAS: 98-29-3
• Catalog Number: ACM98293-1
• Category: Other Products
• Molecular Weight: 166.22
• Molecular Formula: C10H14O2
• Synonyms: Tbc
• IUPAC Name: 4-Tert-butylbenzene-1,2-diol
• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)O)O
• InChI: InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
• InChI Key: XESZUVZBAMCAEJ-UHFFFAOYSA-N
• Boiling Point: 285 °C (lit.)
• Melting Point: 52-55 °C
• Flash Point: >230 °F
• Density: 1.049
• Appearance: White Solid Turning Light Brown PURITY
• Complexity: 148
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 202-653-9
• Exact Mass: 166.099379685
• Formal Charge: 0
• Hazard Statements: C:Corrosive
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Monoisotopic Mass: 166.099379685
• Packing Group: III
• Physical State: Light red liquid
• Refractive Index: 1.55
• Rotatable Bond Count: 1
• Safety Description: S24-S26-S36/37/39-S45
• Stability: Stable under normal temperatures and pressures.
• Topological Polar Surface Area: 40.5 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• WGK Germany: 2

Custom Q&A

What is the PubChem CID of 4-tert-Butylcatechol?

The PubChem CID of 4-tert-Butylcatechol is 7381.

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

The molecular formula of 4-tert-Butylcatechol is C10H14O2.

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

The molecular weight of 4-tert-Butylcatechol is 166.22 g/mol.

What is the IUPAC name of 4-tert-Butylcatechol?

The IUPAC name of 4-tert-Butylcatechol is 4-tert-butylbenzene-1,2-diol.

What is the InChI of 4-tert-Butylcatechol?

The InChI of 4-tert-Butylcatechol is InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3.

What is the InChIKey of 4-tert-Butylcatechol?

The InChIKey of 4-tert-Butylcatechol is XESZUVZBAMCAEJ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-tert-Butylcatechol?

The canonical SMILES of 4-tert-Butylcatechol is CC(C)(C)C1=CC(=C(C=C1)O)O.

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

The CAS number of 4-tert-Butylcatechol is 98-29-3.

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

The XLogP3 value of 4-tert-Butylcatechol is 2.7.

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

The topological polar surface area of 4-tert-Butylcatechol is 40.5?2.