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α,α,α',α'-Tetramethyl-1,3-benzenedipropionic acid

α,α,α',α'-Tetramethyl-1,3-benzenedipropionic acid

Name: α,α,α',α'-Tetramethyl-1,3-benzenedipropionic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C16H22O4

Molecular Weight:

278.34

CAS Number:

819050-88-9

Catalog Number:

819050-88-9

Product Information

Molecular Formula:

C16H22O4

Molecular Weight:

278.34

Description

α,α,α',α'-Tetramethyl-1,3-benzenedipropionic acid (CAS# 819050-88-9) is a useful research chemical.

Synonyms

3-[3-(2-carboxy-2-methylpropyl)phenyl]-2,2-dimethylpropanoic acid

IUPAC Name

3-[3-(2-carboxy-2-methylpropyl)phenyl]-2,2-dimethylpropanoic acid

Canonical SMILES

CC(C)(CC1=CC(=CC=C1)CC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C16H22O4/c1-15(2,13(17)18)9-11-6-5-7-12(8-11)10-16(3,4)14(19)20/h5-8H,9-10H2,1-4H3,(H,17,18)(H,19,20)

InChI Key

BZWQVGTVYGEXTE-UHFFFAOYSA-N

Boiling Point

437.0±25.0 °C (Predicted)

Melting Point

132-136 °C

Purity

> 98.0 % (GC) (T)

Density

1.143±0.06 g/cm³(Predicted)

Appearance

White to light yellow powder to crystal

LogP

2.99320

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

3.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

278.15180918 g/mol

Monoisotopic Mass

278.15180918 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

337

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113149888-A	Hydroxy indolone derivative and preparation method and application thereof	2021-05-06
CN-112430207-A	Indole derivative and preparation method and application thereof	2020-10-21
CN-112047871-A	Preparation method of indole compound	2020-10-14
JP-2022041899-A	Resin composition, resin film and display device	2020-08-31
JP-2022041900-A	Laminates and display devices	2020-08-31
JP-2022041901-A	Laminates and display devices	2020-08-31
WO-2022044822-A1	Resin composition, resin film, and display device	2020-08-31
WO-2022044823-A1	Layered body and display device	2020-08-31
WO-2022044824-A1	Layered body and display device	2020-08-31
JP-2021175793-A	Curable composition, wavelength conversion film, light emitting device and image display device	2020-04-28

Literatures

PMID	Publication Date	Title	Journal
18338851	2008-04-07	Diruthenium(II,III) bis(tetramethyl-1,3-benzenedipropionate) as a novel catalyst for tert-butyl hydroperoxide oxygenation	Inorganic chemistry