4,4'-Methylene-bis-(2,6-dimethylphenol)
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
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.
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].
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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
256.146329876 g/mol
Monoisotopic Mass
256.146329876 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
239
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 |
|---|---|---|
| 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 |
