CAS 88-24-4 | 6,6'-Methylenebis(2-(tert-butyl)-4-ethylphenol) | CAS Number 88-24-4

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88-24-4 | 6,6'-Methylenebis(2-(tert-butyl)-4-ethylphenol)

CAS No: 88-24-4 Catalog No: AG003B3D MDL No:MFCD00026296

Product Description

Catalog Number:

AG003B3D

Chemical Name:

6,6'-Methylenebis(2-(tert-butyl)-4-ethylphenol)

CAS Number:

88-24-4

Molecular Formula:

C25H36O2

Molecular Weight:

368.5521

MDL Number:

MFCD00026296

IUPAC Name:

2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol

InChI:

InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3

InChI Key:

GPNYZBKIGXGYNU-UHFFFAOYSA-N

SMILES:

CCc1cc(Cc2cc(CC)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O

EC Number:

201-814-0

UNII:

RZW97F6CTS

NSC Number:

7782

Properties

Complexity:

416

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

368.272g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

368.561g/mol

Monoisotopic Mass:

368.272g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.1

Literature

Title	Journal
Molecular docking revealed potential disruptors of glucocorticoid receptor-dependent reporter gene expression.	Toxicology letters 20140421
Male reproductive toxicity of four bisphenol antioxidants in mice and rats and their estrogenic effect.	Archives of toxicology 20060401