CAS No.35958-30-6,2,2'-Ethylidenebis(4,6-di-tert-butylphenol) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	35958-30-6
Name:	2,2'-Ethylidenebis(4,6-di-tert-butylphenol)
Article Data:	23

Formula:	C₃₀H₄₆O₂
Molecular Weight:	438.694
Synonyms:	1,1-Bis(3,5-di-tert-butyl-2-hydroxyphenyl)ethane;Ethanox 308;Ionox 129;Irganox129;Isonox 129;Vanox 1290;
EINECS:	252-816-3
Density:	0.976 g/cm³
Melting Point:	162-164 °C(lit.)
Boiling Point:	464.8 °C at 760 mmHg
Flash Point:	177.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	40.46000
LogP:	8.43960

Synthetic route

: 96-76-4
2,4-di-tert-Butylphenol

: 75-07-0
acetaldehyde

: 35958-30-6
2,2-ethylidenebis(4,6-tert-butylphenol)

Conditions

Conditions	Yield
With benzenesulfonic acid In hexane for 24h; Reflux; Schlenk technique; Inert atmosphere; Glovebox;

: tris(cyclopentadienyl)(tetrahydrofuran)samarium(III)

: 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

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%

: tricyclopentadienyl(tetrahydrofurane)neodymium

: 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

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

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%

...Expand

: 294-93-9
(1,4,7,10-tetraoxacyclododecane)

: 35958-30-6
2,2-ethylidenebis(4,6-tert-butylphenol)

: C38H61LiO6

Conditions

Conditions	Yield
With n-butyllithium In hexane; toluene at 20℃; for 12h; Inert atmosphere;	94%

: (η5-C5H5)3Yb(tetrahydrofuran)

: 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

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%

: titanium(IV) tetraethanolate

: 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

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%

: 109-99-9
tetrahydrofuran

: 35958-30-6
2,2-ethylidenebis(4,6-tert-butylphenol)

: [EDBPH*K*(THF)2]

Conditions

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

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%

...Expand

: 58832-09-0
WO[OC(CH3)3]4

: 35958-30-6
2,2-ethylidenebis(4,6-tert-butylphenol)

: 75-05-8
acetonitrile

: [W(O)(di-phenol 2,2’-ethylidenebis(4,6-di-tertbutylphenol))2]·MeCN

Conditions

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%

...Expand

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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