2,2,4-Trimethylpentane supplier

Name
2,2,4-Trimethylpentane
EINECS 208-759-1
CAS No. 540-84-1
Article Data123
CAS DataBase
Density 0.692 g/cm³
Solubility insoluble in water
Melting Point -107 °C
Formula C₈H₁₈
Boiling Point 98.8 °C at 760 mmHg
Molecular Weight 114.231
Flash Point 18°F
Transport Information UN 1262
Appearance colourless liquid
Safety 9-16-29-33-60-61-62
Risk Codes 11-38-50/53-65-67
Molecular Structure
Hazard Symbols F, Xn, N
Synonyms Isobutyltrimethylmethane;NSC 39117;iso-Octane;Pentane,2,2,4-trimethyl-;
PSA 0.00000
LogP 3.07860

Synthetic route

: 107-45-9
tert-Octylamine

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With tin hydride resin; 2,2'-azobis(isobutyronitrile) In benzene at 80℃; for 47h; deamination of other tertiary and secondary amines and dehydroxylation of secondary alcohols;	89%

: 5342-78-9
2,2,4-trimethyl-4-nitro-pentane

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With 2,2-azobisbutyronitrile; tri-n-butyl-tin hydride In benzene for 2h; Heating;	75%
With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) In various solvent(s) at 80℃; for 1h; Product distribution; denitrohydrogenation of tertiary nitroalkanes with various methods;	75%

: 3208-43-3, 4527-76-8
4-tetrahydrofuran-2-yl-butan-2-ol

A: 1004-29-1
2-butanyltetrahydrofuran

B: 3857-17-8, 113611-56-6
2-propyltetrahydropyran

C: 111-65-9
octane

D: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
In tetrahydrofuran at 175℃; under 18751.9 Torr;	A n/a B n/a C 41% D n/a

...Expand

: 1,1,4,4-tetrakis[bis(trimethylsilyl)metllyl]-1,4-diisopropyltetrasila-2-yne

: 14542-93-9
1,1,3,3-tetramethylbutane isonitrile

A: 107-39-1
2,4,4-trimethyl-1-pentene

B: 540-84-1
2,2,4-trimethylpentane

C: 1088162-71-3
meso-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-2,3-dicyano-l,4-diisopropyltetrasilane

D: 1357062-57-7
(E)-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-2,3-dicyano-1,4-diisopropyltetrasila-2-ene

E: C36H92N2Si12

Conditions

Conditions	Yield
In (2)H8-toluene at 20℃; for 5h;	A 68 %Spectr. B 29 %Spectr. C 20 %Spectr. D 24% E 16 %Spectr.

...Expand

: 80201-75-8
trans-azocyclopropane

A: 594-82-1
tetramethyl-2,2,3,3 butane

B: 540-84-1
2,2,4-trimethylpentane

C: 74-84-0
ethane

D: 74-85-1
ethene

E: 75-19-4
cyclopropane

F: 115-11-7
isobutene

Conditions

Conditions	Yield
In various solvent(s) at 45 - 50℃; under 700 Torr; for 8h; Product distribution; Mechanism; Quantum yield; Irradiation; var. wavelengts, other solvents;	A 4.6% B 1% C 2.1% D 11% E 9.2% F 12.5%

...Expand

: 75-28-5
Isobutane

: 74-85-1
ethene

A: 560-21-4
2,3,3-Trimethyl-pentane

B: 565-75-3
2,3,4-trimethylpentane

C: 540-84-1
2,2,4-trimethylpentane

D: 78-78-4
methylbutane

E: 107-83-5
2-Methylpentane

F: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
aluminium trichloride-diethyl ether (1/1) at 30℃; under 1520 Torr; for 0.5h; Product distribution;	A n/a B 3.6% C 9.4% D 5.2% E n/a F n/a

...Expand

: 75-28-5
Isobutane

: 74-85-1
ethene

A: 540-84-1
2,2,4-trimethylpentane

B: 78-78-4
methylbutane

C: 107-83-5
2-Methylpentane

D: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
aluminium trichloride-diethyl ether (1/1) at 30℃; under 1520 Torr; for 0.5h; Further byproducts given;	A 9.4% B 5.2% C n/a D n/a
aluminium trichloride-diethyl ether (1/1) at 30℃; under 1520 Torr; for 0.5h; Further byproducts given. Yields of byproduct given;	A 9.4% B 5.2% C n/a D n/a
aluminium trichloride-diethyl ether (1/1) at 30℃; under 1520 Torr; for 0.5h; Further byproducts given;	A 7.9% B 3.8% C n/a D n/a

...Expand

: 106-98-9
1-butylene

: 107-01-7
butene-2

: 75-28-5
Isobutane

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With hydrogen fluoride at 20 - 25℃;
With hydrogenchloride; aluminium trichloride at -35℃;
durch katalytische Alkylierung; als Ausgangsmaterial dienen die Butan-Buten-Fraktionen der Crackgase oder Crackbenzine;
durch katalytische Alkylierung; als Ausgangsmaterial dienen die Butan-Buten-Fraktionen der Crackgase oder Crackbenzine;
With hydrogen fluoride at 20 - 25℃;

...Expand

: 106-98-9
1-butylene

: 75-28-5
Isobutane

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With hydrogen fluoride at 20 - 25℃;
With hydrogenchloride; aluminium trichloride at -35℃;
With hydrogen fluoride at 20 - 25℃;

: 107-39-1
2,4,4-trimethyl-1-pentene

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With nickel(II) sulfide; tungsten trisulfide at 215℃; under 183877 Torr; Hydrogenation;
With methanol; copper oxide-chromium oxide barium oxide at 300℃; under 86054.4 Torr;
With platinum Hydrogenation.unter Verwendung von durch elektrische Entladungen aktiviertem Wasserstoff;

: 187737-37-7
propene

: 75-28-5
Isobutane

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With 2-propylfluoride; hydrogen fluoride at 40℃;

: 107-01-7
butene-2

: 75-28-5
Isobutane

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With hydrogenchloride; aluminium trichloride at -35℃;
With hydrogenchloride; AlCl3 monomethanolate at 28℃;
With hydrogen fluoride at 20 - 25℃;

: 107-40-4
2,4,4-trimethylpent-2-ene

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With platinum on activated charcoal Hydrogenation;
With sodium tetrahydroborate; Octanoic acid; boron trifluoride diethyl etherate 1.) triglyme, 1 h, RT; 2.) triglyme, 210 deg C, 1 h; Yield given. Multistep reaction;
With hydrogen; platinum on silica at 50 - 250℃; gas chromatograph - hydrogenation microreactor - mass spectrometer;

: 75-28-5
Isobutane

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
durch katalytiche Alkylierung;
With 2-propylfluoride; boron trifluoride at -80 - 25℃;
With hydrogen fluoride; cyclopropane at 40℃; under 5884.06 Torr;

: 78-78-4
methylbutane

: 74-85-1
ethene

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With BF3*H4O7P2

: 74-85-1
ethene

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
durch katalytische Polymerisation und folgende Hydrierung;

: 2437-52-7
3-tert-Butyl-2,4,4-trimethyl-pent-2-ene

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
Hydrogenation;

: 513-35-9
2-methyl-but-2-ene

: 115-11-7
isobutene

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With aluminum oxide; silica gel at 110℃; unter Druck und Hydrierung des Reaktionsprodukts an Nickel bei 100grad;

: 75-28-5
Isobutane

: 115-11-7
isobutene

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With hydrogen fluoride at -11℃;
With hydrogen fluoride
With sulfuric acid

: 115-11-7
isobutene

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With nickel(II) oxide; iron; magnesium chloride at 250 - 300℃; under 58840.6 Torr; Hydrogenation.Reagens 4: ZnCl2;
With nickel(II) oxide; iron; magnesium chloride at 250 - 300℃; under 58840.6 Torr; Hydrogenation.Reagens 4: AlCl3;
With nickel(II) oxide; iron; magnesium chloride at 250 - 300℃; under 58840.6 Torr; Hydrogenation.Reagens 4: H3PO4-Kieselgur;
Stage #1: isobutene In water at 200℃; under 123762 Torr; Autoclave; Stage #2: With water; iron; nickel at 250℃; under 30003 Torr; for 48h; Temperature; Pressure; Autoclave;

: 187737-37-7
propene

: 75-28-5
Isobutane

A: 108-08-7
2,4-dimethylpentane

B: 540-84-1
2,2,4-trimethylpentane

C: 565-59-3
2,3-dimethyl pentane

D: 78-78-4
methylbutane

E: 107-83-5
2-Methylpentane

F: 79-29-8
2,3-dimethylbutane

Conditions

Conditions	Yield
With zeolite YCe at 70 - 80℃; under 7600 Torr; for 6h; Mechanism;

...Expand

: 624-64-6
trans-2-Butene

: 75-28-5
Isobutane

A: 560-21-4
2,3,3-Trimethyl-pentane

B: 564-02-3
2,2,3-trimethylpentane

C: 565-75-3
2,3,4-trimethylpentane

D: 540-84-1
2,2,4-trimethylpentane

E: 592-13-2
2,5-dimethylhexane

F: 589-43-5
2,4-dimethylhexane

Conditions

Conditions	Yield
With ultrastable Y zeolite with unit cell size 2.450 nm (USY-1); silica gel at 50℃; for 0.0166667h; Product distribution; other ultrastable Y zeolites (USY) with var. unit sell sizes; the effect of the strength distribution of Broensted acid sites, the concentration of reactants in the pores, and the extent of hydrogen transfer reactions;

...Expand

: 75-28-5
Isobutane

A: 108-08-7
2,4-dimethylpentane

B: 594-82-1
tetramethyl-2,2,3,3 butane

C: 540-84-1
2,2,4-trimethylpentane

D: 592-13-2
2,5-dimethylhexane

E: 464-06-2
triptane

F: 762-62-9
4,4-dimethylpent-1-ene

Conditions

Conditions	Yield
at -78.1℃; Product distribution; Irradiation; gamma radiolysis at different irradiation doses, liquid and solid state;

...Expand

: 5435-64-3
3,5,5-trimethyl hexanal

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With Wilkinson's catalyst; diphenyl-phosphinic acid In tetrahydrofuran-d8 at 25℃; for 46h;	97 % Spectr.

: 5171-85-7
2,2,4,4,5,5,7,7-octamethyloctane

A: 107-39-1
2,4,4-trimethyl-1-pentene

B: 540-84-1
2,2,4-trimethylpentane

C: 107-40-4
2,4,4-trimethylpent-2-ene

Conditions

Conditions	Yield
In tetralin at 279.1℃; Product distribution; Thermodynamic data; Rate constant; thermolysis, ΔG(excit.), ΔH(excit.), ΔS(excit.);

...Expand

: 39198-34-0
N,N'-bis(1,1,3,3-tetramethylbutyl)diazene

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
In benzene at 200℃; for 0.25h;	85 % Chromat.
In benzene at 200℃; for 0.25h; Mechanism; Thermodynamic data; ΔG(excit.), ΔH(excit.), ΔS(excit.); the solvent containts 20 percent thiophenol;	85 % Chromat.

: 24642-79-3
1,1,3,3-tetramethylcyclobutane

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With hydrogen; molybdenum at 191.9℃; Kinetics; Product distribution;

: 24642-79-3
1,1,3,3-tetramethylcyclobutane

A: 540-84-1
2,2,4-trimethylpentane

B: 34557-54-5
methane

C: 74-84-0
ethane

D: 74-98-6
propane

E: 4516-69-2
1,1,3-trimethylcyclopentane

F: 115-11-7
isobutene

Conditions

Conditions	Yield
With hydrogen; palladium at 201.9℃; Kinetics; Product distribution; on sintered platinum-metal films;	A 73 % Chromat. B n/a C n/a D n/a E 3 % Chromat. F n/a
With hydrogen; platinum at 173.9℃; Kinetics; Product distribution; Mechanism; on sintered platinum-metal films;	A 46 % Chromat. B n/a C n/a D n/a E 19 % Chromat. F n/a
With hydrogen; platinized copper at 281.9℃; Kinetics; Product distribution; on sintered platinum-metal films;	A n/a B n/a C n/a D n/a E 38 % Chromat. F n/a

...Expand

: 14542-93-9
1,1,3,3-tetramethylbutane isonitrile

: 540-84-1
2,2,4-trimethylpentane

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane In toluene Heating;	85 % Chromat.
With 2,2'-azobis(isobutyronitrile); 1,1,1,2,3,3,3-heptamethyltrisilane In toluene at 348 - 363℃;	75 % Chromat.

: 145729-01-7
2,3-bis(tert-butylazo)-2,3-dimethylbutane

A: 107-39-1
2,4,4-trimethyl-1-pentene

B: 563-79-1
2,3-Dimethyl-2-butene

C: 594-82-1
tetramethyl-2,2,3,3 butane

D: 540-84-1
2,2,4-trimethylpentane

E: 5846-39-9
2,3,3,4,4-pentamethyl-1-pentene

F: 145729-05-1
2,3-dimethyl-2-(tert-butylazo)butane

Conditions

Conditions	Yield
In benzene-d6 at 161℃; Rate constant; Product distribution; Kinetics; energy data: ΔH(excit.), ΔS(excit.), ΔG(excit.); var. temperatures, other solvents, also in the presence of thiophenol and irradiation;

...Expand

: 540-84-1
2,2,4-trimethylpentane

: 62574-65-6
2-bromo-2,4,4-trimethylpentane

Conditions

Conditions	Yield
With manganese(IV) oxide; bromine at 10℃; for 1.5h;	100%
With bromine In water at 20℃; for 0.0316667h; Flow reactor; UV-irradiation;	58 %Chromat.

: 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-fluoromethoxyiminoacetic acid

: 540-84-1
2,2,4-trimethylpentane

: 108-20-3
di-isopropyl ether

: 2-(5-amino-1,2,4-thiazol-3-yl)-2-fluoromethoxyiminoacetyl chloride. hydrochloride

Conditions

Conditions	Yield
With phosphorus pentachloride In dichloromethane; water	89.6%

...Expand

: 540-84-1
2,2,4-trimethylpentane

: 1333-74-0
hydrogen

Conditions

Conditions	Yield
With air; 11 wtpercent nickel nanoparticles supported on silica at 750℃; under 760.051 Torr; for 12h; Reagent/catalyst;	84%

: 540-84-1
2,2,4-trimethylpentane

: 35426-97-2
2-azido-2,4,4-trimethylpentane

Conditions

Conditions	Yield
With Perbenzoic acid; 1-azido-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one; 1,1'-azobis(1-cyanocyclohexanenitrile) In 1,2-dichloro-ethane for 3h; Heating;	76%

: 540-84-1
2,2,4-trimethylpentane

: 690-37-9
2,4,4-trimethyl-2-pentanol

Conditions

Conditions	Yield
With chromium(VI) oxide; tetrabutylammonium periodite In dichloromethane; acetonitrile at -40℃; for 0.166667h;	68%
With (TPP)FeF; tetrabutyl ammonium fluoride; tetrabutylammonium perchlorate In dichloromethane for 1h; electrolysis: platinum-basket working eleectrode, silver wires counter electrode, 10 mA;
With dihydrogen peroxide; oxalic acid; triphenylphosphine; [Mn2(1,4,7-trimethyl-1,4,7-triazacyclononane)O3][PF6]2 In acetonitrile Product distribution; Further Variations:; Solvents;

: 540-84-1
2,2,4-trimethylpentane

: 2700-22-3
Benzylidenemalononitrile

: C18H24N2

Conditions

Conditions	Yield
With uranyl nirate hexahydrate In acetone at 20℃; for 24h; Irradiation;	68%

: 540-84-1
2,2,4-trimethylpentane

: 17200-53-2
α-(bromomethyl)acrylonitrile

: 4,4,6,6-tetramethyl-2-methyleneheptanenitrile

Conditions

Conditions	Yield
With di-tert-butyl peroxide; potassium carbonate at 130℃; for 8h; Sealed tube; Inert atmosphere;	64%

: 540-84-1
2,2,4-trimethylpentane

: 110426-92-1
[(3-bromoprop-1-en-2-yl)sulfonyl]benzene

: [(4,4,6,6-tetramethylhept-1-en-2-yl)sulfonyl]benzene

Conditions

Conditions	Yield
With di-tert-butyl peroxide; potassium carbonate at 130℃; for 8h; Sealed tube; Inert atmosphere;	57%

: 540-84-1
2,2,4-trimethylpentane

: 71-43-2
benzene

: 253185-03-4, 253185-04-5
tert-butylbenzene

Conditions

Conditions	Yield
With aluminium trichloride; tertiary butyl chloride for 4h; Product distribution; Ambient temperature;	55%

: 540-84-1
2,2,4-trimethylpentane

: 17435-72-2
ethyl 2-bromomethyl-2-propenoate

A: ethyl 4,4,6,6-tetramethyl-2-methyleneheptanoate

B: ethyl (Z)-2,4,4,6,6-pentamethylhept-2-enoate

Conditions

Conditions	Yield
With di-tert-butyl peroxide; potassium carbonate at 130℃; for 8h; Time; Sealed tube; Inert atmosphere;	A 55% B 5%

...Expand

: 540-84-1
2,2,4-trimethylpentane

A: 78-84-2
isobutyraldehyde

B: 67-64-1
acetone

Conditions

Conditions	Yield
With hydroxide; nitrogen(II) oxide at 24.85℃; under 740 Torr; Kinetics;	A 26% B 54%

: 540-84-1
2,2,4-trimethylpentane

: 71-43-2
benzene

A: 253185-03-4, 253185-04-5
tert-butylbenzene

B: 1012-72-2
1,4-di-tert-butylbenzene

C: 1014-60-4
1,3-di-tert-butylbenzene

Conditions

Conditions	Yield
trifluorormethanesulfonic acid; antimony pentafluoride at 23℃; for 2h; Product distribution; ultra sound; effect of use of var. cat., var. temp., and var. times;	A 49% B n/a C n/a

...Expand

: 540-84-1
2,2,4-trimethylpentane

: 582-61-6
benzoyl azide

A: N-(2,4,4-trimethylpentyl)benzamide

B: C15H23NO

Conditions

Conditions	Yield
With [IPr2*NN]Cu(η2-C6H6) In fluorobenzene at 20℃; Inert atmosphere; Glovebox; Sealed tube;	A 49% B n/a

...Expand

: 540-84-1
2,2,4-trimethylpentane

: 73183-34-3
bis(pinacol)diborane

: 1643393-54-7
4,4,5,5-tetramethyl-2-(2,4,4-trimethylpentyl)-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 3,4,7,8-Tetramethyl-o-phenanthrolin; potassium tert-butylate at 110℃; for 20h; Reagent/catalyst; Glovebox; Inert atmosphere; Sealed tube;	42%

: 540-84-1
2,2,4-trimethylpentane

: 108-24-7
acetic anhydride

A: 233765-95-2
2,4,4-Trimethyl-3-nitro-2-pentanol nitrate

B: 2,4,4-Trimethyl-3-nitro-2-pentanol acetate

Conditions

Conditions	Yield
With nitric acid at 14 - 16℃; for 2h; Oxidation;	A 40% B 20%

...Expand

: 540-84-1
2,2,4-trimethylpentane

: 3360-54-1
3-bromo-2-phenylprop-1-ene

: (4,4,6,6-tetramethylhept-1-en-2-yl)benzene

Conditions

Conditions	Yield
With di-tert-butyl peroxide; potassium carbonate at 130℃; for 8h; Sealed tube; Inert atmosphere;	37%

: 540-84-1
2,2,4-trimethylpentane

: 2371-06-4
1-chloro-2,2,4-trimethyl pentane

Conditions

Conditions	Yield
With sulfuryl dichloride; (5,10,15,20-tetrakis(p-methoxyphenyl)-21H,23H-porphyrinate)cobalt(II) In benzene at 85℃;	20%

: 540-84-1
2,2,4-trimethylpentane

: 98-73-7
4-(1,1-dimethylethyl)benzoic acid

: C19H30O2

Conditions

Conditions	Yield
With pentanonitrile; Selectfluor; copper(ll) bromide In nitromethane at 60℃; for 4h; Inert atmosphere;	17%

: 92-52-4
biphenyl

: 540-84-1
2,2,4-trimethylpentane

: 1625-92-9
4-tert-butylbiphenyl

Conditions

Conditions	Yield
With hydrogenchloride; aluminium trichloride
With hydrogenchloride; aluminium trichloride

: 540-84-1
2,2,4-trimethylpentane

: 123-19-3
4-heptanone

A: 74-85-1
ethene

B: 107-87-9
2-Pentanone

Conditions

Conditions	Yield
at 25℃; erfolgt die Rekombination der Radikale.Photolysis;

...Expand

2,2,4-Trimethylpentane Consensus Reports

Reported in EPA TSCA Inventory.

2,2,4-Trimethylpentane Standards and Recommendations

NIOSH REL: TWA (Alkanes) 350 mg/m³

2,2,4-Trimethylpentane Specification

1. Introduction of 2,2,4-Trimethylpentane
The 2,2,4-Trimethylpentane, also known as Isooctane, is an organic compound with the formula C₈H₁₈. It belongs to the product categories of Industrial/Fine Chemicals; Organics; Analytical Chemistry; HPLC Solvents; Solvents for HPLC & Spectrophotometry; Solvents for Spectrophotometry; Leda Hplc. Its EINECS registry number is 208-759-1. With the CAS registry number 540-84-1, its IUPAC name is 2,2,4-trimethylpentane.

2. Properties of 2,2,4-Trimethylpentane
Physical properties of 2,2,4-Trimethylpentane: (1)ACD/LogP: 4.46; (2)ACD/LogD (pH 5.5): 4.46; (3)ACD/LogD (pH 7.4): 4.46; (4)ACD/BCF (pH 5.5): 1435.33; (5)ACD/BCF (pH 7.4): 1435.33; (6)ACD/KOC (pH 5.5): 6329.15; (7)ACD/KOC (pH 7.4): 6329.15; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.4; (10)Molar Refractivity: 39.03 cm³; (11)Molar Volume: 161 cm³; (12)Surface Tension: 20.5 dyne/cm; (13)Density: 0.709 g/cm³; (14)Enthalpy of Vaporization: 30.79 kJ/mol; (15)Boiling Point: 98.8 °C at 760 mmHg; (16)Vapour Pressure: 45.2 mmHg at 25°C.

3. Structure Descriptors of 2,2,4-Trimethylpentane
(1)Canonical SMILES: CC(C)CC(C)(C)C
(2)InChI: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
(3)InChIKey: NHTMVDHEPJAVLT-UHFFFAOYSA-N

4. Preparation of 2,2,4-Trimethylpentane
2,2,4-Trimethylpentane is synthesized industrially from isobutylene. Isobutylene is first dimerized using an Amberlyst catalyst to produce a mixture of iso-octenes. Hydrogenation of this mixture produces 2,2,4-trimethylpentane.

2,2,4-Trimethylpentane is synthesized industrially from isobutylene

5. Use of 2,2,4-Trimethylpentane
2,2,4-Trimethylpentane can be used to produce 1-chloro-2,2,4-trimethyl-pentane at temperature of 85 °C. This reaction will need reagent sulfuryl chloride and solvent benzene. The yield is about 20%.

2,2,4-Trimethylpentane can be used to produce 1-chloro-2,2,4-trimethyl-pentane at temperature of 85 °C

6. Health Hazard Information of 2,2,4-Trimethylpentane
Acute Effects:
During an accident, 2,2,4-trimethylpentane penetrated the skin of a human which caused necrosis of the skin and tissue in the hand and required surgery. No other information is available on the acute effects in humans.
Irritation of the lungs, edema, and hemorrhage have been reported in rodents acutely exposed by inhalation and injection.
Central nervous system (CNS) depression has been reported in mice following acute inhalation exposure.
Chronic Effects (Noncancer):
No information is available on the chronic effects of 2,2,4-trimethylpentane in humans.
Kidney and liver effects have been observed in rats chronically exposed via gavage and inhalation.
EPA has not established a Reference Concentration (RfC) or a Reference Dose (RfD) for 2,2,4-trimethylpentane.
Reproductive/Developmental Effects:
No information is available on the reproductive or developmental effects of 2,2,4-trimethylpentane in humans or animals.
Cancer Risk:
No information is available on the carcinogenic effects of 2,2,4-trimethylpentane in humans or animals.
EPA has not classified 2,2,4-trimethylpentane with respect to potential carcinogenicity.

7. Other details of 2,2,4-Trimethylpentane
When you are using this chemical, please be cautious about it as the following:
2,2,4-Trimethylpentane may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. It may cause damage to health. In addition, it is irritating to skin. This chemical is very toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. You should keep it away from sources of ignition - No smoking. What's more, you should take precautionary measures against static discharges.

Product Name

2,2,4-Trimethylpentane

Synthetic route

2,2,4-Trimethylpentane Consensus Reports

2,2,4-Trimethylpentane Standards and Recommendations

2,2,4-Trimethylpentane Specification

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