4,4'-Methylene-bis-(2,6-dimethylphenol)

Inquiry

Molecular Formula:

C17H20O2

Molecular Weight:

256.34

CAS Number:

5384-21-4

Catalog Number:

5384-21-4

Product Information

Molecular Formula:

C17H20O2

Molecular Weight:

256.34

Description

4,4'-Methylene-bis-(2,6-dimethylphenol) has significant antibacterial properties and is often used in drug development research for bacterial and fungal infections.

Synonyms

4,4'-Methylene-bis-(2,6-dimethylphenol); 4,4'-Methylene bis 2,6-xylenol

IUPAC Name

4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol

Canonical SMILES

CC1=CC(=CC(=C1O)C)CC2=CC(=C(C(=C2)C)O)C

InChI

InChI=1S/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3

InChI Key

AZZWZMUXHALBCQ-UHFFFAOYSA-N

Boiling Point

414.7±40.0 °C(Predicted)

Melting Point

176 °C

Purity

>98.0%(GC)

Density

1.11 g/cm3

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

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

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

4.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

256.146329876 g/mol

Monoisotopic Mass

256.146329876 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

239

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-113980265-A	Preparation method of high-purity low-molecular-weight dihydroxy polyphenyl ether	2021-10-29
CN-113511980-A	Aromatic polyimide with main chain containing benzonorbornene structure and preparation method thereof	2021-07-10
CN-112812721-A	Curable epoxy resin composition	2021-02-08
CA-3097881-A1	Leuco colorants as bluing agents in laundry care composition	2020-11-03
KR-102303031-B1	Method for preparing glass fiber-reinforced Polycarbonate resin composition with good appearance, surface property and impact resistance	2020-10-27
WO-2022049070-A1	Electrically conductive epoxy resin coating and electrostatically dissipative floor	2020-09-01
WO-2022049071-A1	Transparent electrically conductive epoxy resin coating and electrostatic dissipative floor	2020-09-01
WO-2022039104-A1	Epoxy resin composition and cured product	2020-08-20
WO-2022038893-A1	Curable resin, curable resin composition, and cured product	2020-08-19
US-2022049056-A1	Manufacture of degradable polycyanurate bulk molding compositions	2020-08-17

Literatures

PMID	Publication Date	Title	Journal
19734050	2009-10-01	Identification and characterization of novel sirtuin inhibitor scaffolds	Bioorganic & medicinal chemistry

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The dilution calculator equation

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