[ CAS No. 1889-67-4 ] {[proInfo.proName]}

Name: 1889-67-4|(2,3-Dimethylbutane-2,3-diyl)dibenzene|95%
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2D 3D

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Quality Control of [ 1889-67-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1889-67-4 ]

Product Details of [ 1889-67-4 ]

CAS No. :	1889-67-4	MDL No. :	MFCD00053713
Formula :	C₁₈H₂₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HGTUJZTUQFXBIH-UHFFFAOYSA-N
M.W :	238.37	Pubchem ID :	74681
Synonyms :

Calculated chemistry of [ 1889-67-4 ]

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.33
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	79.7
TPSA :	0.0 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.57 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.12
Log Po/w (XLOGP3) :	5.89
Log Po/w (WLOGP) :	4.94
Log Po/w (MLOGP) :	6.31
Log Po/w (SILICOS-IT) :	5.07
Consensus Log Po/w :	5.07

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.32
Solubility :	0.00113 mg/ml ; 0.00000474 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.66
Solubility :	0.000518 mg/ml ; 0.00000217 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.57
Solubility :	0.0000646 mg/ml ; 0.000000271 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.46

Safety of [ 1889-67-4 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1889-67-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 1889-67-4 ]
Downstream synthetic route of [ 1889-67-4 ]

[ 1889-67-4 ] Synthesis Path-Upstream 1~4

1
[ 67834-62-2 ]
[ 111-77-3 ]
[ 34557-54-5 ]
[ 1889-67-4 ]
[ 67-64-1 ]
[ 75-65-0 ]

Reference： [1] Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 251 - 257[2] Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 2, p. 282 - 289

2
[ 98-82-8 ]
[ 1889-67-4 ]
[ 617-94-7 ]
[ 80-15-9 ]
[ 98-86-2 ]

Reference： [1] Tetrahedron Letters, 2007, vol. 48, # 19, p. 3417 - 3421

3
[ 253185-03-4 ]
[ 1889-67-4 ]
[ 4210-32-6 ]
[ 68527-72-0 ]
[ 154532-34-0 ]

Reference： [1] Journal of the American Chemical Society, 1981, vol. 103, # 14, p. 4204 - 4209

4
[ 253185-03-4 ]
[ 460-19-5 ]
[ 1889-67-4 ]
[ 68527-72-0 ]
[ 154532-34-0 ]
[ 98-83-9 ]

Reference： [1] Journal of the American Chemical Society, 1981, vol. 103, # 14, p. 4204 - 4209

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Yield	Reaction Conditions	Operation in experiment
85%	With di-tert-butyl peroxide; sodium acetate at 120℃; for 10h; Schlenk technique; Green chemistry;
85%	With di-tert-butyl peroxide; sodium acetate at 120℃; for 10h;	5 Preparation Example 5 Isopropylbenzene (10 mmol, excess), a catalyst (PdPt PNSs/RGO, 4 mg), DTBP (5 mmo 1, 5 equiv) and NaOAC (1 mmol, lequiv) were added to a 10 mL reaction tube, and reacted at 120 ° C for 1 Oh. After completion of the reaction, filtration, concentration and separation by column chromatography gave 2,3-dimethyl-2,3-diphenylbutane in a yield of 85%.
84%	With 4,4'-di-tert-butyl-2,2'-bipyridine nickel(II) bromide; [4,4'-bis(1,1-dimethylethyl)-2,2'-bipyridine-N¹,N¹]bis-{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C}iridium(III) hexafluorophosphate In ethyl acetate at 20℃; for 24h; Inert atmosphere; Schlenk technique; Irradiation;	3. Dehydrogenative Coupling of 1: A Typical Procedure To an oven-dried 5 mL Schlenk tube were added cumene 1 (24.3 mg, 0.20 mmol),(Ir[dF(CF3)ppy]2dtbbpy)PF6 (4.5 mg, 0.004 mmol), NiBr2(dtbbpy) (2.0 mg, 0.004 mmol), andethyl acetate (5.0 mL) under a nitrogen atmosphere. The tube was capped with rubber septa,and the solution was stirred and irradiated with blue LEDs at room temperature for 24 hours.Then, the resulting mixture was filtrated through a short column of silica gel and washed withethyl acetate. The filtrate was concentrated under reduced pressure. The residue was purifiedby PTLC (eluent: hexane:dichloromethane = 5:1) to give (2,3-dimethylbutane-2,3-diyl)dibenzene 2 (20.2 mg, 0.085 mmol, 84 %) as white solids.

54.5%	With trans-di-O-tert-butyl hyponitrite at 80℃; for 0.5h;
44%	With [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine nickel(II) bromide In ethyl acetate at 20℃; for 20h; Schlenk technique; Inert atmosphere; Glovebox; Irradiation;
22%
20%	With di-tert-butyl peroxide Heating;
	With air; aluminium at 148℃;
	With benzophenone for 97h; Irradiation;

Yield	Reaction Conditions	Operation in experiment
47%	With magnesium In diethyl ether
25%	With sodium hydroxide; dimanganese decacarbonyl; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane; water for 4h; Irradiation;
	With diethyl ether; magnesium

Yield	Reaction Conditions	Operation in experiment
	at 243℃; Pyrolysis;
	at 255℃; Pyrolysis;
	at 247℃; Pyrolysis;

[ CAS No. 1889-67-4 ] {[proInfo.proName]}

Quality Control of [ 1889-67-4 ]

Related Doc. of [ 1889-67-4 ]

Product Details of [ 1889-67-4 ]

Calculated chemistry of [ 1889-67-4 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1889-67-4 ]

Application In Synthesis of [ 1889-67-4 ]

[ 1889-67-4 ] Synthesis Path-Upstream 1~4

[ 1889-67-4 ] Synthesis Path-Downstream 1~88

Precautionary Statements-General

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Yield	Reaction Conditions	Operation in experiment
92%	With lithium aluminium tetrahydride; titanium(III) chloride In tetrahydrofuran Heating;
	With hydrogen bromide; zinc Reagens 4: Essigsaeure;
	With hydrogenchloride; zinc Reagens 4: Essigsaeure;

	With hydrogen iodide; acetic acid
	With zinc
	Multi-step reaction with 2 steps 1: 83 percent / ZnI₂ / 1,2-dichloro-ethane / 1 h / Ambient temperature 2: 1.) LDMAN / 1.) THF, -78 deg C, 10 min, 2.) THF, 0 deg C, 1.5 h
	Multi-step reaction with 3 steps 1: aq. H₂SO₄; tetrahydrofuran / 0.5 h 2: 6.5 g / m-chloroperoxybenzoic acid / CH₂Cl₂ / 48 h / Ambient temperature 3: 1.) n-BuLi / 1.) THF, -78 deg C; 2.) THF, reflux, 8 h
	Multi-step reaction with 2 steps 1: 92 percent / HBr, MgSO₄ / petroleum ether / 0.5 h 2: 47 percent / Mg / diethyl ether
	Multi-step reaction with 2 steps 1: hydrogen bromide 2: diethyl ether

Yield	Reaction Conditions	Operation in experiment
1: 71% 2: 12%	With sodium tetrahydroborate; tetramethyl ammoniumhydroxide; oxygen In methanol for 1h; various catalysts;
1: 12% 2: 71%	With sodium tetrahydroborate; tetramethyl ammoniumhydroxide; oxygen In methanol for 1h;
1: 41% 2: 46%	With sodium tetrahydroborate; tetramethyl ammoniumhydroxide; oxygen In methanol for 1h;

Yield	Reaction Conditions	Operation in experiment
83%	With chlorotris(triphenylphosphine)cobalt(I) In benzene for 2h; Ambient temperature;
30%	Wurtz procedure;

Yield	Reaction Conditions	Operation in experiment
	With para-thiocresol In octane at 247℃; var. temp., further reagent: tetralin; ΔG(excit.), ΔS(excit.), ΔH(excit.);
	Heating; ΔG(excit.), ΔH(excit.), ΔS(excit.), enthalpy of tension;
	In dichloromethane Irradiation;

Yield	Reaction Conditions	Operation in experiment
1: 15% 2: 21% 3: 8% 4: 3.4%	In benzene at 20 - 25℃; Irradiation;
1: 3.4% 2: 15% 3: 8% 4: 21%	In benzene Irradiation; Title compound not separated from byproducts;
1: 21% 2: 3.4% 3: 8% 4: 15%	In benzene at 20 - 25℃; Irradiation; other solvents;

Yield	Reaction Conditions	Operation in experiment
1: 17% 2: 2.8% 3: 1.3% 4: 30%	With sodium dodecyl-sulfate In water Irradiation; Title compound not separated from byproducts;
1: 30% 2: 17% 3: 2.8% 4: 1.3%	With sodium dodecyl-sulfate In water Irradiation; further detergents;
1: 30% 2: 30% 3: 2% 4: 1%	With cetyltrimethylammonium chloride In water at 20 - 25℃; Irradiation; cage effect;

Yield	Reaction Conditions	Operation in experiment
1: 38% 2: 44%	With n-butyllithium In tetrahydrofuran; hexane at -78℃; reverse order of addition of reagents;
	With n-butyllithium 1.) THF, hexane, -78 gradC, 0.3 h; Yield given. Multistep reaction. Yields of byproduct given;

Yield	Reaction Conditions	Operation in experiment
	With n-butyllithium 1.) THF, -78 deg C; 2.) THF, reflux, 8 h; Yield given. Multistep reaction;
	With n-butyllithium 1.) THF, -78 deg C; 2.) THF, reflux, 8 h; Multistep reaction. Title compound not separated from byproducts;

Yield	Reaction Conditions	Operation in experiment
1: 85% 2: 7%	With titanium(III) citrate; Tris buffer; tetra(n-butyl)ammonium hydroxide In ethanol
1: 79% 2: 11%	With methanol for 2h; UV-irradiation;
1: 63% 2: 11%	With C₅₁H₇₁CoN₄O₁₄⁽¹⁺⁾*ClO₄^(1-); trifluoroacetic acid In acetonitrile at 20℃; Electrolysis; Inert atmosphere;	4.3 General bulk electrolysis General procedure: The controlled-potential electrolysis of the alkene was carried out in a divided cell equipped with a carbon felt cathode and a zinc plate anode (1×3cm2) at-0.7V vs. Ag/AgCl in the presence of 1at room temperature in 0.1M n-Bu4NClO4 containing acetonitrile. The applied potential between the working and reference electrodes during the electrolysis was maintained constant using a Hokuto Denko HA BF-501A potentiostat, and the electrical quantity was also recorded by it. The concentrations of the catalyst and substrate were 5.0×10-4M and 5.0×10-2M, respectively. After the electrolysis, the electrolyte solution was passed through silica gel with the CHCl3 eluent, then analyzed by GC-MS. Authentic samples of the products from the catalytic reactions (Tables1 and 2) except for those listed below were purchased from Aldrich or Tokyo Kasei Kogyo (TCI). The 2,3-diphenylhexanes (racemic and meso) (DH) were synthesized by reported methods [30], and the mixture of the racemic and meso compound was separated by preparative TLC using hexane as the eluent. 1,1-Diphenylethane, butyl propionate (4a), and octyl propionate (4c) were synthesized by hydrogenation of 1,1-diphenylethylene, butyl acrylate (3a), and octyl acrylate (3c) using Pd/C under 1atm H2, respectively. Ethyl 2-phenylacrylate was synthesized by the acid-catalyzed esterification of 2-phenylacrylic acid in ethanol.

	With hydrogen In propan-2-one at -78℃; for 0.5h;
1: 45 %Chromat. 2: 40 %Chromat.	With [Cu(bathocuproine)(Xantphos)]PF₆; [Co(trifluoromethanesulfonate)(1,4-di(picolyl)-7-(p-toluenesulfonyl)-1,4,7-triazacyclononane)](trifluoromethanesulfonate); water monomer; triethylamine In acetonitrile at 15℃; for 5h; Inert atmosphere; Irradiation;
1: 91 %Chromat. 2: 9 %Chromat.	With [Cu(bathocuproine)(Xantphos)]PF₆; [Co(trifluoromethanesulfonate)(1,4-di(picolyl)-7-(p-toluenesulfonyl)-1,4,7-triazacyclononane)](trifluoromethanesulfonate); water monomer; N-ethyl-N,N-diisopropylamine In acetonitrile at -3℃; for 24h; Inert atmosphere; Irradiation;

Yield	Reaction Conditions	Operation in experiment
1: 8% 2: 92%	With sodium tetrahydroborate; (5,10,15,20-tetramesitylporphyrinato)manganese(III) chloride; oxygen In ethanol; benzene for 0.583333h; Ambient temperature;
1: 40% 2: 41%	With sodium tetrahydroborate; oxygen In methanol; benzene Ambient temperature;

Yield	Reaction Conditions	Operation in experiment
	With oxygen; Nitrogen dioxide In dichloromethane at 0℃; for 1h; Yield given. Further byproducts given. Yields of byproduct given;
	With nitronium tetrafluoborate In sulfolane; dichloromethane at -20℃; for 10h;

Yield	Reaction Conditions	Operation in experiment
1: 23.9% 2: 76.1%	With sodium naphthalenide In tetrahydrofuran at 25℃;
1: 61% 2: 32%	With dipotassium hydrogenphosphate; benzaldehyde; silver nitrate; zinc In water at 30℃; for 1h;

Yield	Reaction Conditions	Operation in experiment
1: 8.8% 2: 91.2%	With sodium naphthalenide In tetrahydrofuran at 25℃;
1: 85 % Chromat. 2: 2 % Chromat.	With potassium hydroxide In ethanol at 20℃; Electrolysis;

Yield	Reaction Conditions	Operation in experiment
	With vanadium(II)bis-N,N,N’,N’-tetramethylethylenediamine-dichloride; oxygen 1) THF, 20 deg C, 1 h; 2) THF, reflux, 15 h; Yield given. Multistep reaction;
	With vanadium(II)bis-N,N,N’,N’-tetramethylethylenediamine-dichloride; oxygen 1.) THF, 20 deg C, 2.) THF, 20 deg C, 3.) reflux, 15 h; Yield given. Multistep reaction;

Yield	Reaction Conditions	Operation in experiment
	With LiY zeolite In hexane at 20℃; UV-irradiation;
	In hexane for 0.25h; Irradiation; Further byproducts given. Title compound not separated from byproducts;

Yield	Reaction Conditions	Operation in experiment
	With cation exchanged Y zeolite Irradiation;
	In hexane Irradiation;
	Irradiation;

	With sodium dodecyl-sulfate In water Photolysis;
	With sodium dodecyl-sulfate In water Photolysis;
	With cetyltrimethylammonim bromide In water

Yield	Reaction Conditions	Operation in experiment
1: 54 % Chromat. 2: 29 % Chromat. 3: 13 % Chromat.	With copper(l) iodide; chloro-trimethyl-silane; iodine In acetonitrile at 82℃; for 1h;
1: 54 % Chromat. 2: 13 % Chromat. 3: 29 % Chromat.	With lanthanum; chloro-trimethyl-silane; iodine In acetonitrile at 82℃; for 1h;
1: 36 % Chromat. 2: 6 % Chromat. 3: 29 % Chromat.	With lanthanum; chloro-trimethyl-silane; iodine In acetonitrile at 82℃; for 1h;

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 95 percent / diethyl ether; hexane / 1.5 h / 20 °C 2: 90 percent / aq. NaOH; NaOCl / 20 °C 3: Thermolysis
	Multi-step reaction with 2 steps 1: 47 percent / MgSO₄, KMnO₄ / acetone; H₂O / 46 h / 25 - 30 °C 2: 9 percent / hexamethylphosphoric acid triamide / 45 h / Irradiation

Yield	Reaction Conditions	Operation in experiment
87%	With nitrous oxide; sodium tetrahydroborate; meso-tetraphenylporphyrin iron(III) chloride; tetramethyl ammoniumhydroxide In methanol; toluene for 14h;
	Multi-step reaction with 4 steps 2: aq. NaOH / H₂O 3: 47 percent / MgSO₄, KMnO₄ / acetone; H₂O / 46 h / 25 - 30 °C 4: 9 percent / hexamethylphosphoric acid triamide / 45 h / Irradiation

Yield	Reaction Conditions	Operation in experiment
	With hydrogen at 220℃; Gas phase;	I.IB Illustrative Embodiments 1. Illustrative Embodiment I: I (A) Preparation OF HYDROCRACKING Catalyst Pd-Mordenite Catalyst A mixture of 1500 grams of sodium mordenite, (having the following properties: a surface area of 430 square meters per gram; an average crystallite size of around 1 micron; a cyclohexane adsorption uptake of 7.6 cc/g; and a molar silica to alumina ratio of 11. 1), 9000 grams of ammonium nitrate and 15 liters of 1.5 M nitric acid was heated to 50 °C. and stirred for five hours. The solid material was filtered off and washed with 25 liters of deionized water. This treatment of the Mordenite with ammonium nitrate in nitric acid was repeated twice with fresh ammonium nitrate and nitric acid each time. After each treatment the solid material was filtered off and washed with water and dried overnight at 120 °C. Palladium was added to the zeolite to a level of 0.35 percent by weight by treatment with an aqueous solution containing Tetraamine palladium nitrate and an excess of ammonium nitrate prepared by dissolving 6.55 grams of tetramine palladium nitrate in 308 grams of deionized water and adding to this solution 4.92 grams of ammonium nitrate. The palladium solution was then co-mulled with 1083 grams of DEALUMINATED mordenite having an LOI (loss of iginition at 750 °C for 2 hours) of 10.6%. The palladium- containing mordenite was uniformly mixed and then 338 grams of PSEUDOBOEHMITE alumina (Catapal B which is commercially available from Vista Chemical Company) having an LOI of 28.4% was added and allowed to mix. The mixture was extruded and the 1.6 mm extrudates were dried in air for 16 hours at 125 °C, and then calcined in flowing air at 500°C. for two hours. The catalyst was crushed and sized to 6-20 mesh particles and then reduced using the procedure as described in IIA below. IB. HYDROCRACKING of Cumene Dimer Using Pd on H-Mordenite Catalyst The bottom stream from a catalytic distillation column, for the catalytic distillation of cumyl alcohol to produce cumene, was distilled to yield a cumene dimer rich mixture that was diluted with cumene and fed into a fixed bed hydrogenation loaded with the acidic palladium on H-Mordenite catalyst as described in I (A) for hydrocracking under the condition as provided in TABLE 1 below. The results are shown in TABLE 2 below. Table 1 Feedrate 33.5 g/hr Reaction Temperature 220°C Pressure 10 bar Hydrogen Flowrate 4 L/Hr Catalyst Weight 33.5 g (before reduction) Table 2 Fixed Bed Cumene Dimers To Cumene Results With Palladium On H-Mordenite Catalyst At 220°C Component Cumene dimers in cumene Fixed Bed Product (FEED) 2,3-Dimethyl-2, 3- 1. 94 0.06 diphenylbutane, (wt%) 2-methyl-2,4-diphenylpentane, 1. 03 0. 02 (wt%) Cumene, (wt%) 96. 75 99. 82 Isopropylcyclohexane, (wt%) 0.08 0.08 Alpha-Methyl styrene, (wt%) 0. 20 0. 02
	With hydrogen at 260℃;	III.A The bottom stream from II (B) (I) above was distilled to yield a cumene dimer rich mixture that was diluted with cumene and fed into a fixed bed hydrogenation loaded with the T-366 catalyst as described in II (A) (i) above for hydrocracking under the condition as provided in TABLE 4 below. The results are shown in TABLE 5 below.
	With hydrogen at 220℃;	3.B The bottom stream from II (B) (i) above was distilled to yield a cumene dimer rich mixture that was diluted with cumene and fed into a fixed bed hydrogenation loaded with the acidic palladium on H-Mordenite catalyst as described in II (B) (i) above for hydrocracking under the condition as provided in TABLE 6 below. The results are shown in TABLE 7 below.

	With hydrogen at 220℃; Gas phase;	III.IIIB III. Comparative Example IIIA. Preparation OF HYDROGENATION CATALYST Palladium on Carbon Pressed granules of 0.5 wt. % of palladium on carbon, available from the Calsicat division of Mallinckrodt Incorporated was mixed with silicon carbide and reduced according the same procedure as described in IIA above. IIIB. HYDROCRACKING OF CUMENE Dimers with Palladium on Carbon Catalyst The bottom stream from a catalytic distillation column, for the catalytic distillation of cumyl alcohol to produce cumene, was distilled to yield a cumene dimer rich mixture that was diluted with cumene and fed into a fixed bed hydrogenation loaded with the acidic palladium on carbon catalyst as described in III (A) for hydrocracking under the condition as provided in TABLE 5 below. The results are shown in TABLE 6 below. Table 5 Feedrate 33.5 g/hr Reaction Temperature 220 °C Pressure 10 bar Hydrogen Flowrate 4 L/Hr Catalyst Weight 33.5 g (before reduction) Table 6 Fixed Bed Cumene Dimers To Cumene Results With Palladium on Carbon Catalyst at 220°C Component Cumene dimers in cumene Fixed Bed Product (FEED) 2,3-Dimethyl-2, 3- 1. 94 0.10 diphenylbutane, (wt%) 2-methyl-2,4-diphenylpentane, 1. 03 0. 10 (wt%) Cumene, (wt%) 96. 75 99. 60 Isopropylcyclohexane, (wt%) 0. 08 0.16 Alp11a-Methyl styrene, (wt%) 0. 20 0. 04
	With hydrogen at 260℃; Gas phase;	II.IIB II. Illustrative Embodiment II IIA Preparation of Hydrocracking Catalyst T-366 Catalyst A commercially available copper on silica catalyst, T-366, available from Sud Chemie, having 54 wt. % of Cu on silica extruded into 3.2 mm extrudate, is further processed using the following procedure for the catalytic cracking experiments. Five grams of Sud Chemie T-366 copper on silica catalyst (3mm tablets) was crushed and sized into 6-20 mesh particles. The catalyst was mixed with 45 grams of 80 mesh silicon carbide and centered inside a 69 cm long stainless steel reactor tube between beds of 20 mesh SiC and glass wool. The reactor tube had an internal diameter of 1. 5CM. The catalyst was slowly reduced by heating the catalyst particles at a rate of 3°C per minute from 20°C to 180°C while flowing 0.05 wt. % hydrogen in nitrogen at a rate of 10 L/Hr. The catalyst was allowed to reduce at 180°C for 2 hours and then the hydrogen content in the nitrogen was doubled every 2 hours until the gas was 3.2 wt. % hydrogen in nitrogen. The catalyst was reduced for a final two-hour period and then cooled while maintaining gas flow. After cooling, the reactor was capped without allowing any air to enter and the gas flow was stopped. The reactor was opened in a nitrogen filled glove box and the catalyst and silicon carbide were separated by screen sieve. IIB. HYDROCRACKING of Cumene Dimers Using T-366 Copper on Silica Catalyst The bottom stream from a catalytic distillation column, for the catalytic distillation of cumyl alcohol to produce cumene, was distilled to yield a cumene dimer rich mixture that was diluted with cumene and fed into a fixed bed hydrogenation loaded with the T-366 catalyst as described in II (A) for hydrocracking under the condition as provided in TABLE 3 below. The results are shown in TABLE 4 below. Table 3 Feedrate 33.5 g/hr Reaction Temperature 260°C Pressure 10 bar Hydrogen Flowrate 4 L/Hr Catalyst Weight 33. 5 g (before reduction) Table 4 Fixed Bed Cumene Dimer To Cumene Results With T-366 Catalyst At 260°C Component Cumene dimers in Fixed Bed Product cumene (FEED) 2,3-Dimethyl-2, 3- 1. 94 0.05 diphenylbutane, (wt%) 2-methyl-2,4-diphenylpentane, 1. 03 0. 09 (wt%) Cumene, (wt%) 96. 75 99. 54 Isopropylcyclohexane, (wt%) 0. 08 0.18 alpha-Methyl styrene, (wt%) 0. 20 0. 09

Precautionary Statements-General
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P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
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P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling