4-tert-Butyl-2,6-dimethylacetophenone

Product Information

Molecular Formula:
(CH3)3CC6H2(CH3)2COCH3
Molecular Weight:
204.31
Description
4-tert-Butyl-2,6-dimethylacetophenone is a pharmaceutical compound commonly used in the biomedical industry. This product exhibits potent antioxidant and anti-inflammatory properties. It is utilized in the synthesis of various drugs targeting oxidative stress-related diseases such as neurodegenerative disorders, cardiovascular conditions, and certain cancers.
Synonyms
1,3-Dimethyl-5-tert -butyl-2-acetophenone,4'-tert -Butyl-2',6'-dimethylacetophenone
IUPAC Name
1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
Canonical SMILES
CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)C
InChI
InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3
InChI Key
JNHLHPMTMTYLCP-UHFFFAOYSA-N
Boiling Point
150 °C/20 mmHg(lit.)
Melting Point
47-49 °C (lit.)
Flash Point
235.4 °F
Purity
98%
Density
0.927 g/cm³
Solubility
water, 4.209 mg/L @ 25 °C (est)
Appearance
Off-white solid
Refractive Index
1.495

Computed Properties

XLogP3
4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
204.151415257 g/mol
Monoisotopic Mass
204.151415257 g/mol
Topological Polar Surface Area
17.1Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
224
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

Patents

Publication Number Title Priority Date
WO-2022032236-A2 Polymeric composite membranes having oriented nanochannels and methods of making the same 2020-08-07
WO-2021203074-A1 Gel compositions with tunable hardness 2020-04-03
WO-2021174073-A1 Biomaterials and related methods and kits 2020-02-28
US-2021230457-A1 Photocurable adhesion-promoting compositions and methods of use 2020-01-29
WO-2021155092-A1 Photocurable adhesion-promoting compositions and methods of use 2020-01-29
EP-3838882-A1 2,4-diethylocta-2,6-dienal and its use as aroma chemical 2019-12-18
WO-2021122674-A1 2,4-diethylocta-2,6-dienal and its use as aroma chemical 2019-12-18
EP-3838895-A1 Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and use thereof as aroma chemicals 2019-12-16
WO-2021110273-A1 Encapsulated odorants based on natural amino acids 2019-12-05
WO-2021104624-A1 Device and method for determining, analytically and by sensing, the release of an active substance from a release system 2019-11-27
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2024 BOC Sciences. All rights reserved.
Inquiry Basket