Basic information
- Name:
Phenol,4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-
- Superlist Name:
- 4,4'-Methylenebis(2,6-di-tert-butylphenol)
- CAS No.:
118-82-1
- Molecular Structure:
- Formula:
- C29H44O2
- Molecular Weight:
- 424.73
- Synonyms:
- Phenol,4,4'-methylenebis[2,6-di-tert-butyl- (6CI,8CI);3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxydiphenylmethane;Agidol 23;Antioxidant 4426;Antioxidant 702;Antioxidant 728;Antioxidant E 702;Binox M;Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane;Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane;Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane;Ethanox 4702;Ethanox 702;Ethyl 728;Ethyl Antioxidant 702;H 301/92;Hitec 4702;Ionox 220;Ionox 220Antioxidant;LZ-MB 1;MB 1;MB 1 (antioxidant);NSC 30551;Vanlube DTB;
- EINECS:
- 204-279-1
- Density:
- 0.981 g/cm3
- Melting Point:
- 155-159 °C(lit.)
- Boiling Point:
- 459.5 °C at 760 mmHg
- Flash Point:
- 178.1 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Consensus Reports
Specification
The IUPAC name of 4,4'-Methylenebis(2,6-di-tert-butylphenol) is 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol. With the CAS registry number 118-82-1, it is also named as 2,2',6,6'-Tetra-tert-butyl-4,4'-methylenediphenol. The product's categories are industrial / fine chemicals; organics; diphenylmethanes (for high-performance polymer research); functional materials; reagent for high-performance polymer research; bisphenol and sulfonyldiphenol monomers; monomers; polymer science. In addition, 4,4'-Methylenebis(2,6-di-tert-butylphenol) is used for anti-oxidant of polyethylene, polypropylene, polystyrene, ABS resin and polyester. It is moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 9.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.49; (4)ACD/LogD (pH 7.4): 9.49; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 8; (8)Index of Refraction: 1.526; (9)Molar Refractivity: 132.87 cm3; (10)Molar Volume: 432.4 cm3; (11)Polarizability: 52.67×10-24 cm3; (12)Surface Tension: 33.5 dyne/cm; (13)Enthalpy of Vaporization: 74.76 kJ/mol; (14)Vapour Pressure: 4.6E-09 mmHg at 25°C; (15)Rotatable Bond Count: 6; (16)Tautomer Count: 3; (17)Exact Mass: 424.334131; (18)MonoIsotopic Mass: 424.334131; (19)Topological Polar Surface Area: 40.5; (20)Heavy Atom Count: 31; (21)Complexity: 480.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES: Oc1c(cc(cc1C(C)(C)C)Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C;
2. InChI: InChI=1/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.
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 1400mg/kg (1400mg/kg) | BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 113, 1993. | |
| rat | LD50 | oral | > 24gm/kg (24000mg/kg) | BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 113, 1993. | |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 113, 1993. |
