Introduction：Basic information about 4,4'-Methylenebis(2,6-di-tert-butylphenol) CAS 118-82-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4,4'-Methylenebis(2,6-di-tert-butylphenol) Basic information
| Product Name: | 4,4'-Methylenebis(2,6-di-tert-butylphenol) |
| Synonyms: | 4,4'-Methylenebis(2,6-di-tert-butylphenol);TIMTEC-BB SBB007948;RARECHEM AQ BD 0024;RALOX(R) 02 S;Antioxidant 728;Tetra-tert-butylbisphenol F;2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzyl)phenol;2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol |
| CAS: | 118-82-1 |
| MF: | C29H44O2 |
| MW: | 424.66 |
| EINECS: | 204-279-1 |
| Product Categories: | Antioxidant;Organics;Diphenylmethanes (for High-Performance Polymer Research);Functional Materials;Reagent for High-Performance Polymer Research;Bisphenol and Sulfonyldiphenol Monomers;Monomers;Polymer Science;Industrial/Fine Chemicals |
| Mol File: | 118-82-1.mol |
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4,4'-Methylenebis(2,6-di-tert-butylphenol) 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) |
| Fp | 289°C/40mm |
| storage temp. | Store below +30°C. |
| solubility | <0.0001g/l |
| form | solid |
| pka | 12.03±0.40(Predicted) |
| 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 |
4,4'-Methylenebis(2,6-di-tert-butylphenol) 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].
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| 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) Preparation Products And Raw materials
| Raw materials | 2,6-Di-tert-butylphenol-->3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL ETHER-->3,5-di-tert-butyl-4-hydroxybenzyl acetate-->3,5-Di-tert-butyl-4-hydroxybenzyl alcohol-->4,4'-[2,4,6-Trimethyl-1,3-phenylenebis(methylene)]bis[2,6-di(tert-butyl)phenol]-->Antioxidant 1330-->2,6-Di-tert-butyl-4-(dimethylaminomethyl)phenol-->Mesitylene-->Formaldehyde |
| Preparation Products | 3,5-di-tert-butyl-4-hydroxybenzyl acetate-->4,4'-Ethylenebis(2,6-ditert-butylphenol) |
