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Cas Database |
| Name |
2,2'-Ethylidenebis(4,6-di-tert-butylphenol) |
EINECS | 252-816-3 |
| CAS No. | 35958-30-6 | Density | 0.976 g/cm3 |
| PSA | 40.46000 | LogP | 8.43960 |
| Solubility | N/A | Melting Point |
162-164 °C(lit.) |
| Formula | C30H46O2 | Boiling Point | 464.8 °C at 760 mmHg |
| Molecular Weight | 438.694 | Flash Point | 177.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1,1-Bis(3,5-di-tert-butyl-2-hydroxyphenyl)ethane;Ethanox 308;Ionox 129;Irganox129;Isonox 129;Vanox 1290; |
Article Data | 23 |
2,2'-Ethylidenebis(4,6-di-tert-butylphenol) Synthetic route
| Conditions | Yield |
|---|---|
| With benzenesulfonic acid In hexane for 24h; Reflux; Schlenk technique; Inert atmosphere; Glovebox; |
- 35958-30-6
2,2-ethylidenebis(4,6-tert-butylphenol)
- 933453-74-8
[(η5-C5H5)Sm(2,2'-ethylidene-bis(4,6-di-tert-butylphenoxo))(THF)2]
| Conditions | Yield |
|---|---|
| In tetrahydrofuran (Ar, Schlenk) a THF-soln. of diphenol-compound was slowly added to a THF-soln. of complex, the mixt. was stirred overnight at room temp.; the solvent was removed under vac., toluene-soln. was concd.; elem. anal.; | 95% |
- 35958-30-6
2,2-ethylidenebis(4,6-tert-butylphenol)
- 933453-75-9
[(η5-C5H5)Nd(2,2'-ethylidene-bis(4,6-di-tert-butylphenoxo))(THF)2]
| Conditions | Yield |
|---|---|
| In tetrahydrofuran (Ar, Schlenk) a THF-soln. of diphenol-compound was slowly added to a THF-soln. of complex, the mixt. was stirred overnight at room temp.; the solvent was removed under vac., toluene-soln. was concd.; elem. anal.; | 95% |
- 67-56-1
methanol
- 3385-78-2
trimethyl indium
- 35958-30-6
2,2-ethylidenebis(4,6-tert-butylphenol)
- 1187925-66-1
[Me6In3(OMe)(2,2'-ethylidenebis(4,6-di-tert-butylphenolate)]
| Conditions | Yield |
|---|---|
| In methanol; diethyl ether byproducts: CH4; (N2); std. Schlenk technique; soln. of MeOH in Et2O was added to stirredsoln. of Me3In in Et2O at -76°C; warmed to room temp.; soln. of ligand in Et2O was added at 0°C; warmed to room temp.; elem. anal.; | 94% |
| Conditions | Yield |
|---|---|
| With n-butyllithium In hexane; toluene at 20℃; for 12h; Inert atmosphere; | 94% |
- 35958-30-6
2,2-ethylidenebis(4,6-tert-butylphenol)
- 933453-73-7
[(η5-C5H5)Yb(2,2'-ethylidene-bis(4,6-di-tert-butylphenoxo))(THF)2]
| Conditions | Yield |
|---|---|
| In tetrahydrofuran (Ar, Schlenk) a THF-soln. of diphenol-compound was slowly added to a THF-soln. of complex, the mixt. was stirred overnight at room temp.; the solvent was removed under vac., toluene was added to extract, -10°C; elem. anal.; | 93% |
- 35958-30-6
2,2-ethylidenebis(4,6-tert-butylphenol)
- 851091-55-9
[Ti2(μ-OEt)2(2,2-ethylidenebis(4,6-di-tert-butylphenol)(-2H))2(OEt)2]
| Conditions | Yield |
|---|---|
| In hexane byproducts: EtOH; to rapidly stirred hexane soln. of edbp (4.9 mmol) Ti(OEt)4 (4.9 mmol) added, stirred for 48 h at room temp.; filtered, washed (hexane), recrystd. (hexane/toluene 1:1) at room temp.;elem. anal.; | 92% |
| Conditions | Yield |
|---|---|
| With potassium | 92% |
- 109-99-9
tetrahydrofuran
- 75-24-1
trimethylaluminum
- 7440-23-5
sodium
- 35958-30-6
2,2-ethylidenebis(4,6-tert-butylphenol)
- 1229666-03-8
[(2,2-ethylidenebis(4,6-di-tert-butylphenolato))Al(CH3)2Na(tetrahydrofuran)2]
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; hexane under N2; soln. of ethylidenebis(phenol) deriv. and Na in THF stirred at50°C for 4.0 h, Al(CH3)3 in hexane added slowly, mixt. stirred f or 12 h; evapn. under vac., residue dissolved in THF, hexane added, soln. filtered through Celite, filtrate stored at room temp. for several d; elem. anal.; | 91% |
| Conditions | Yield |
|---|---|
| Stage #1: WO[OC(CH3)3]4; 2,2-ethylidenebis(4,6-tert-butylphenol) In diethyl ether for 0.5h; Inert atmosphere; Schlenk technique; Stage #2: acetonitrile Inert atmosphere; Schlenk technique; | 91% |
2,2'-Ethylidenebis(4,6-di-tert-butylphenol) Specification
The Phenol,2,2'-ethylidenebis[4,6-bis(1,1-dimethylethyl)-, with the CAS registry number 35958-30-6 and EINECS registry number 252-816-3, has the systematic name and IUPAC name of 2,2'-ethane-1,1-diylbis(4,6-di-tert-butylphenol). It belongs to the following product categories: Organics; Polymer Additives; Polymer Science; Stabilizers. And the molecular formula of the chemical is C30H46O2.
The characteristics of Phenol,2,2'-ethylidenebis[4,6-bis(1,1-dimethylethyl)- are as followings: (1)ACD/LogP: 9.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.84; (4)ACD/LogD (pH 7.4): 9.84; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5336802; (8)ACD/KOC (pH 7.4): 5336110.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 137.51 cm3; (15)Molar Volume: 449.7 cm3; (16)Polarizability: 54.51×10-24cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 0.975 g/cm3; (19)Flash Point: 177.7 °C; (20)Enthalpy of Vaporization: 75.41 kJ/mol; (21)Boiling Point: 464.8 °C at 760 mmHg; (22)Vapour Pressure: 2.92E-09 mmHg at 25°C.
Uses of Phenol,2,2'-ethylidenebis[4,6-bis(1,1-dimethylethyl)-: It can react with dichloro-methyl-silane to produce 2,4,8,10-tetra-tert-butyl-6,12-dimethyl-12H-5,7-dioxa-6-sila-dibenzo[a,d]cyclooctene. This reaction will need reagent Triethylamine, and the menstruum toluene. And the yield is about 51%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)C
(2)InChI: InChI=1/C30H46O2/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13/h14-18,31-32H,1-13H3
(3)InChIKey: DXCHWXWXYPEZKM-UHFFFAOYAS
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