4,4'-Methylenebis(2,6-di-tert-butylphenol)
Product Information
Molecular Formula
C29H44O2
Molecular Weight
424.67
Description
Antioxidant.
Synonyms
TIMTEC-BB SBB007948; RARECHEM AQ BD 0024; RALOX(R) 02 S; 2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol; 4,4'-methylenebis(2,6-bis(1,1-dimethylethyl)-pheno; 4,4'-methylenebis(2,6-bis(1,1-dimethylethyl)phenol); 4,4'-methylenebis(2,6-di-t-butylphenol); 4,4'-me
IUPAC Name
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3
InChI Key
MDWVSAYEQPLWMX-UHFFFAOYSA-N
Boiling Point
289 °C40 mm Hg(lit.)
Melting Point
155-159 °C(lit.)
Flash Point
289°C/40mm
Purity
98% by HPLC
Density
28940
Appearance
White to Orange to Green powder to crystal
Application
Used in the fuel, polymers, and lubricant blending industries; Used as an antioxidant additive in petroleum-based lubricants.
Storage
Store below +30°C.
Refractive Index
1.4875 (estimate)
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H413:
May cause long-lasting harmful effects to aquatic life.
Causes skin irritation.
H319:
Causes serious eye irritation.
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
9.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
424.334130642 g/mol
Monoisotopic Mass
424.334130642 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
480
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 |
|---|---|---|
| JP-2022043096-A | Resin composition, method for manufacturing cured relief pattern, and semiconductor device | 2021-12-01 |
| CN-114044834-A | Polylactic acid fiber and application thereof in adult incontinence nursing pad | 2021-11-02 |
| CN-113775950-A | Light diffusion composite material for LED, lampshade and light emitting structure | 2021-09-22 |
| CN-113604172-A | High-low temperature resistant hot melt adhesive, and preparation method and application thereof | 2021-09-10 |
| KR-20210116363-A | Biodegradable container and manufacturing method thereof | 2021-08-31 |
| CN-113773642-A | Material for preparing wire harness sleeve, preparation method of material, wire harness sleeve and preparation method of wire harness sleeve | 2021-08-31 |
| KR-20210111185-A | Biodegradable resin composition, biodegradable molded articles using same, and preperation method thereof | 2021-07-30 |
| KR-20210111186-A | Biodegradable resin composition, biodegradable film and biodegradable articles using same | 2021-07-30 |
| KR-20210111187-A | Preparation method of polyhydroxyalkanoates dispersion | 2021-07-30 |
| KR-20210111188-A | Preparation method of biodegradable articles | 2021-07-30 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22103562 | 2011-12-28 | Natural and synthetic antioxidant additives for improving the performance of new biolubricant formulations | Journal of agricultural and food chemistry |
| 21353727 | 2011-05-01 | Discovery of novel SERCA inhibitors by virtual screening of a large compound library | European journal of medicinal chemistry |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 12816477 | 2003-06-27 | Antioxidant activity of o-bisphenols: the role of intramolecular hydrogen bonding | The Journal of organic chemistry |
| 11258977 | 2001-03-01 | Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens | Chemical research in toxicology |
