CAS 88-58-4 2,5-Di-tert-butylhydroquinone - Materials / Alfa Chemistry

NAVIGATION

2,5-Di-tert-butylhydroquinone

PRICE INQUIRY

Catalog Number

ACM88584-2

CAS Number

88-58-4

Product Name

2,5-Di-tert-butylhydroquinone

Structure

Category

Plastic Additives

Synonyms

Di-Tertiary butylhydroquinone

Description

PelletsLargeCrystals

IUPAC Name

2,5-Ditert-butylbenzene-1,4-diol

Molecular Weight

222.32

Molecular Formula

C14H22O2

Canonical SMILES

CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O

InChI

InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3

InChI Key

JZODKRWQWUWGCD-UHFFFAOYSA-N

Boiling Point

321 °C

Melting Point

216-218 °C

Flash Point

216 °C

Purity

98%+

Density

1.07 g/cm3

Appearance

White to Light yellow to Light red powder to crystal

Application

2,5-Di-tert-butylhydroquinone serves a crucial role as an oxidation substrate for assessing the catalytic activity of copper(II) enzyme-like catalysts. This cream or pale brown solid is a member of the hydroquinones class, specifically a benzene-1,4-diol with tert-butyl groups at positions 2 and 5. Also known as 2,5-TBHQ or DTBHQ, it is part of the phenylpropanes family-organic compounds characterized by a phenylpropane moiety. As a phenol derivative, 2,5-Di-tert-butylhydroquinone features two phenol groups and two alkyl groups, each made up of three methyl groups, making it a unique compound for such catalytic studies.

Complexity

208

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

201-841-8

Exact Mass

222.16197994

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

MeSH Entry Terms

1,4-benzenediol, 2,5-bis(1,1-dimethylethyl)-;1,4-dihydroxy-2,5-di-tert-butylbenzene;2,5-di(tert-butyl)-1,4-benzohydroquinone;2,5-di-t-butylquinol;2,5-di-tert-butyl-1,4-benzenediol;2,5-di-tert-butyl-1,4-benzohydroquinone;2,5-di-tert-butylbenzene-1,4-diol;2,5-di-tert-butylhydroquinone;2,5-di-tert-butylquinol;di-t-butylhydroquinone;di-tert-butylhydroquinone;DTBHQ;NSC-11;tBuBHQ

Monoisotopic Mass

222.16197994

NSC Number

9886;11

Rotatable Bond Count

Topological Polar Surface Area

40.5 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII

26XK13B61B

XLogP3