ChemicalBook Product Catalog Catalyst and Auxiliary Antioxidants 4,4'-Methylenebis(2,6-di-tert-butylphenol)

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

Product Name4,4'-Methylenebis(2,6-di-tert-butylphenol)
CAS118-82-1
MFC29H44O2
MW424.66
EINECS204-279-1
MOL File118-82-1.mol

Chemical Properties

Melting point	155-159 °C(lit.)
Boiling point	289 °C40 mm Hg(lit.)
Density	0.99 g/cm3 (20℃)
vapor pressure	0Pa at 25℃
refractive index	1.4875 (estimate)
Flash point	289°C/40mm
storage temp.	Store below +30°C.
solubility	<0.0001g/l
pka	12.03±0.40(Predicted)
form	solid
color	White
Water Solubility	31.9ng/L at 20℃
BRN	1916919
Stability	Stable for 2 years from date of purchase as supplied. Solutions are not stable. Solutions must be made fresh and used within 1 working day.
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
InChIKey	MDWVSAYEQPLWMX-UHFFFAOYSA-N
SMILES	CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
LogP	8.9 at 25℃
CAS DataBase Reference	118-82-1(CAS DataBase Reference)
NIST Chemistry Reference	Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-(118-82-1)
EPA Substance Registry System	Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- (118-82-1)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38-38-37-36
Safety Statements	26-36
WGK Germany	1
RTECS	SL9650000
TSCA	TSCA listed
HS Code	29072990
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
Toxicity	LD50 oral in rat: > 24gm/kg

MSDS

Provider	Language
SigmaAldrich	English
ALFA	English

Usage And Synthesis

Description

bis-BHT (118-82-1) is a potent antioxidant. Cell permeable.

Chemical Properties

light yellow crystalline

Uses

Antioxidant.

Definition

ChEBI: 4,4'-Methylenebis(2,6-di-tert-butylphenol) is a diarylmethane.

Application

4,4'-Methylenebis(2,6-di-tert-butylphenol), also known as H2-4DBP, could be used as a ligand to react with sets of M(OR)x and MRx. The ligand possesses more flexibility than OBzP or catecholate derivatives, and the para-OH makes it of interest for controlled alcoholysis. This compound has several characteristics, including (i) the ortho position possesses the sterically hindering t-butyl group which will assist in minimizing oligomerization, (ii) the para linkage prevents chelation of the 4DBP ligand to the metal upon coordination, and (iii) may act as a valuable model for complexation behavior of the plastic precursor bisphenol-A [BPA; 4,4' -(propane-2,2-diyl)diphenol] that has become of recent concern[2].

Flammability and Explosibility

Non flammable

References

1) Amorati et al. (2003), Antioxidant activity of 0-bisphenols: the role of intramolecular hydrogen bonding; J. Org. Chem. 68 5198.
[2] T. Boyle, Daniel T Yonemoto, L. Steele. “Synthesis and characterization of 4,4′-methylenebis (2,6-di-tert-butylphenol) derivatives of a series of metal alkoxides and alkyls.” Journal of Coordination Chemistry 65.1(2012): 487–505.

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

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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