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4,4'-Methylenebis(2,6-di-tert-butylphenol)

4,4'-Methylenebis(2,6-di-tert-butylphenol)

Name: 4,4'-Methylenebis(2,6-di-tert-butylphenol)
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C29H44O2

Molecular Weight:

424.67

CAS Number:

118-82-1

Catalog Number:

118-82-1

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

Canonical 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.

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.

QC Data

HNMR

HPLC

Computed Properties

XLogP3

9.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

424.334130642 g/mol

Monoisotopic Mass

424.334130642 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

480

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
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