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
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 |
