2,2-DIMETHYLBUTANE supplier

Name
2,2-Dimethylbutane
EINECS 200-906-8
CAS No. 75-83-2
Article Data251
CAS DataBase
Density 0.649
Solubility insoluble
Melting Point -115 ºC
Formula C6H14
Boiling Point 50 ºC
Molecular Weight 86.1772
Flash Point -48 ºC
Transport Information UN 1208
Appearance Liquid.
Safety Probably an irritant and narcotic in high concentration. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Keep away from heat or open flame. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Risk Codes R11;R38;R51/53;R65;R67
Molecular Structure
Hazard Symbols F;Xn;N
Synonyms 2,2-Dimethylbutane;3,3-Dimethylbutane; NSC 74126; Neohexane
PSA 0.00000
LogP 2.44250

Synthetic route

: 558-37-2
tert-butylethylene

: 75-83-2
2,2-Dimethylbutane

Conditions

Conditions	Yield
With nickel(II) bis(octanoate); hydrogen; 1,4-bis(2,6-diisopropylphenyl)-2,3-dimethyl-1,4-diazabuta-1,3-diene; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In benzene-d6 at 50℃; under 3040.2 Torr; for 5h;	98%
With C28H32PZr(1+)*C19H3BF15(1-); hydrogen at 20℃; for 2h; Reagent/catalyst; Glovebox; Schlenk technique;	86%
With borane-ammonia complex; Pd(SIPr)(PCy3) In isopropyl alcohol at 50℃; for 16h; Inert atmosphere; Glovebox;	69%

: 558-37-2
tert-butylethylene

: 6872-06-6
2-methyl indoline

A: 95-20-5
2-methyl-1H-indole

B: 75-83-2
2,2-Dimethylbutane

Conditions

Conditions	Yield
With (PSCOP)IrHCl; sodium t-butanolate In para-xylene at 120℃; for 12h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;	A 96% B n/a

...Expand

: 558-37-2
tert-butylethylene

: 6485-79-6
chlorotriisopropylsilane

A: 75-83-2
2,2-Dimethylbutane

B: ((E)-3,3-Dimethyl-but-1-enyl)-triisopropyl-silane

Conditions

Conditions	Yield
<(phen)PdCH3(Et2O)>+- In dichloromethane at 25℃; for 24h; Yields of byproduct given;	A n/a B 94%

...Expand

: 97-94-9
triethyl borane

: 75-65-0
tert-butyl alcohol

A: 75-28-5
Isobutane

B: 75-83-2
2,2-Dimethylbutane

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In 1,1,2-Trichloro-1,2,2-trifluoroethane 1.) -30 deg C 2.) room temp.;	A 92.5% B 7.5%

...Expand

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

: 75-76-3
tetramethylsilane

: 75-83-2
2,2-Dimethylbutane

Conditions

Conditions	Yield
With hydrogenchloride; aluminium trichloride In dichloromethane at 20℃; for 1h;	92%

: 493-05-0
isochromane

: 558-37-2
tert-butylethylene

A: 253-35-0
1H-isochromene

B: 75-83-2
2,2-Dimethylbutane

Conditions

Conditions	Yield
With (PSCOP)IrHCl; sodium t-butanolate In para-xylene at 120℃; for 12h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;	A 91% B n/a

...Expand

: 75-97-8
3,3-dimethyl-butan-2-one

: 75-83-2
2,2-Dimethylbutane

Conditions

Conditions	Yield
With hydrogen; K-10 montmorillonite; platinum In diethylene glycol dimethyl ether under 37503 Torr; for 20h; Reduction;	60%
With hydrogen; aluminum oxide; nickel at 190℃;	46%
With ethanol; sulfuric acid at 50℃; Electrolysis.elektrolytische Reduktion an einer Cadmiumkathode;
With molybdenum (IV) sulfide Hydrogenation.unter hohem Druck;
Multi-step reaction with 2 steps 1: water; alcohol; hydrazine hydrate 2: potassium hydroxide; platinized fired clay / 180 °C View Scheme

: 96-47-9
2-methyltetrahydrofuran

: 558-37-2
tert-butylethylene

A: 534-22-5
2-methylfuran

B: 75-83-2
2,2-Dimethylbutane

Conditions

Conditions	Yield
With (PSCOP)IrHCl; sodium t-butanolate In para-xylene at 150℃; for 12h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;	A 57% B n/a

...Expand

: 1125-99-1
1-(1-Cyclohexen-1-yl)pyrrolidine

: 558-37-2
tert-butylethylene

A: 635-90-5
1-phenylpyrrole

B: 75-83-2
2,2-Dimethylbutane

C: 62672-96-2
N-(1-cyclohexen-1-yl)-1H-pyrrole

Conditions

Conditions	Yield
With (PSCOP)IrHCl; sodium t-butanolate In para-xylene at 150℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;	A 16% B n/a C 54%

...Expand

: 496-16-2
2,3-Dihydrobenzofuran

: 558-37-2
tert-butylethylene

A: 271-89-6
1-benzofurane

B: 75-83-2
2,2-Dimethylbutane

C: 41014-29-3
2,2'-bibenzofuranyl

Conditions

Conditions	Yield
With (PSCOP)IrHCl; sodium t-butanolate In para-xylene at 120℃; for 6h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;	A 11% B n/a C 37%

...Expand

: 110-54-3
hexane

A: 96-14-0
3-methylpentane

B: 107-83-5
2-Methylpentane

C: 75-83-2
2,2-Dimethylbutane

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

Conditions

Conditions	Yield
platinum at 250℃; Product distribution; Further Variations:; Catalysts; Temperatures;	A 22.1% B 34.8% C 12.9% D 9%
With hydrogen at 215℃; under 7500.75 Torr; Catalytic behavior; Kinetics; Reagent/catalyst; Temperature; Flow reactor; Overall yield = 62.1 %;	A n/a B n/a C 6.7% D 8%
Pt-Al2O3-Cl at 100 - 140℃; under 15001.2 Torr; Product distribution;

...Expand

: 111-65-9
octane

: 558-37-2
tert-butylethylene

A: 75-83-2
2,2-Dimethylbutane

B: 111-66-0
oct-1-ene

Conditions

Conditions	Yield
at 200℃; for 1h; Catalytic behavior; Kinetics; Temperature; Time;	A n/a B 16%
aluminum oxide; {4-Me2N-C6H2-2,6-[OP(t-Bu)2]2}IrH2 at 125℃; for 0.166667 - 4h; Product distribution / selectivity;
aluminum oxide; {4-Me2N-C6H2-2,6-[OP(t-Bu)2]2}IrH2 at 125℃; for 0.25 - 4h; Product distribution / selectivity;
{4-Me2N-C6H2-2,6-[OP(t-Bu)2]2}IrH2 at 125℃; for 0.0833333 - 4h; Product distribution / selectivity;
With (PSCOP)IrHCl; sodium t-butanolate at 100℃; for 1h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube; regioselective reaction;

...Expand

: 34557-54-5
methane

A: 562-49-2
3,3-dimethylpentane

B: 590-73-8
2,2-dimethylhexane

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

D: 1067-08-9
3-ethyl-3-methyl-pentane

E: 1067-20-5
tetraethylmethane

F: 13475-81-5
2,2,3,3-tetramethyl-hexane

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

H: 74-84-0
ethane

I: 74-98-6
propane

J: 75-28-5
Isobutane

K: 463-82-1
2,2-dimethylpropane

L: 78-78-4
methylbutane

M: 107-83-5
2-Methylpentane

N: 75-83-2
2,2-Dimethylbutane

O: 464-06-2
triptane

P: 590-35-2
2,2-dimethylpentane

Q: 7154-79-2
2,2,3,3-tetramethylpentane

R: 1333-74-0
hydrogen

Conditions

Conditions	Yield
With water at 84℃; Product distribution / selectivity; Photolysis;	A 1.89% B 1.45% C 9.67% D 1.72% E 5.82% F 2.18% G 1.45% H 0.17% I 6.34% J 4.51% K 15.7% L 4.01% M 0.4% N 6.41% O 3.52% P 1.2% Q 9.66% R 3.44%
at 84℃; Product distribution / selectivity; Photolysis; 24 psig;	A 2.26% B 1.83% C 7.61% D 1.75% E 9.61% F 1.56% G 1.82% H 0.035% I 7.34% J 5.28% K 12.2% L 2.1% M 0.97% N 7.04% O 3.05% P 2.35% Q 6.46% R 0.219%

...Expand

: 109-66-0
pentane

A: 75-28-5
Isobutane

B: 78-78-4
methylbutane

C: 75-83-2
2,2-Dimethylbutane

Conditions

Conditions	Yield
antimony pentafluoride; zirconium(IV) oxide at 0℃; under 50 Torr; Product distribution; also 2-methylbutane, var conditions, var. catalysts;	A 12.6% B 10.1% C 0.1%

...Expand

: 110-54-3
hexane

A: 75-83-2
2,2-Dimethylbutane

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

Conditions

Conditions	Yield
With hydrogen; tungsten-zirconia-platinum catayst In water at 287.768℃; Product distribution / selectivity;	A 9.377% B 7.065%
With hydrogen at 220℃; under 20 Torr;

: 78-78-4
methylbutane

: 74-85-1
ethene

A: 591-76-4
2-Methylhexane

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

C: 96-14-0
3-methylpentane

D: 107-83-5
2-Methylpentane

E: 75-83-2
2,2-Dimethylbutane

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

Conditions

Conditions	Yield
water; fluorosulphonic acid at -15℃; for 1.5h; Product distribution;	A 5.8% B 6.2% C 8% D n/a E 6.5% F n/a

...Expand

: 464-06-2
triptane

A: 463-82-1
2,2-dimethylpropane

B: 75-83-2
2,2-Dimethylbutane

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

D C1, C3, i-C4, i-C5: C1, C3, i-C4, i-C5

Conditions

Conditions	Yield
nickel at 231.9℃; under 41.5 Torr; for 0.0833333h; Product distribution; Mechanism; hydrogenolysis;	A 1.6% B 1% C 0.031% D n/a

...Expand

: 110-54-3
hexane

A: 78-78-4
methylbutane

B: 96-14-0
3-methylpentane

C: 107-83-5
2-Methylpentane

D: 75-83-2
2,2-Dimethylbutane

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

F: 109-66-0
pentane

Conditions

Conditions	Yield
With hydrogen at 180℃; under 11251.1 Torr; for 0.5h;	A 0.6% B n/a C n/a D n/a E n/a F 0.3%

...Expand

: 56-23-5
tetrachloromethane

: 507-20-0
tertiary butyl chloride

: 557-20-0
diethylzinc

: 75-83-2
2,2-Dimethylbutane

...Expand

: 76-09-5
2,3-dimethyl-2,3-butane diol

A: 75-83-2
2,2-Dimethylbutane

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

Conditions

Conditions	Yield
With nickel; copper at 250℃; Hydrogenation;
With nickel-copper at 250℃; Hydrogenation;

: 594-36-5
2-methyl-2-butylchloride

: 676-58-4
methylmagnesium chloride

: 75-83-2
2,2-Dimethylbutane

Conditions

Conditions	Yield
With dibutyl ether at 50℃;

: 75-83-2
2,2-Dimethylbutane

: rac-[Zr(ethylenebis(tetrahydro)indenyl)(Me)(NHCMe3)]

: rac-[Zr(ethylenebis(tetrahydro)indenyl)(CH2CH2C(CH3)3)(NHCMe3)]

Conditions

Conditions	Yield
In neat (no solvent) byproducts: CH4; heating of mixt. of Zr(Me)(NHCMe3)((C9H10)2CH2CH2) and CH3CH2CMe3 at 75°C for 24 h;	98%

: 75-83-2
2,2-Dimethylbutane

HCo3(CO)9: HCo3(CO)9

: 926-36-3
4,4-dimethylpentanal

Conditions

Conditions	Yield
In hexane at -15℃;	77%

: 75-83-2
2,2-Dimethylbutane

: 79-31-2
isobutyric Acid

: 14253-02-2
trimethylolpropane tri(2-methylpropanoate)

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 120℃; for 6h;	72%

: 75-83-2
2,2-Dimethylbutane

: 2,2,2-tribromoethyl 2-(4-bromophenyl)-2-diazoacetate

: C16H20Br4O2

Conditions

Conditions	Yield
With Rh2[R-tris(p-tBuC6H4)TPCP]4 In dichloromethane Reflux; enantioselective reaction;	70%

: 75-83-2
2,2-Dimethylbutane

: [hydrido(hydridotris(3,5-dimethylpyrazolyl)borate)dimetylplatinum(IV)]

: [(hydridotris(3,5-dimethylpyrazolyl)borate)Pt(η2-neohexene)H]

Conditions

Conditions	Yield
With B(C6F5)3 In further solvent(s) byproducts: CH4; (Ar); std. drybox technique; tert-butylethane was added to mixt. of Pt complex and B(C6F5)3 (1 equiv.); mixt. was stirred at 35°C for 3 d; solvent removed (vac.); chromd. (alumina, CH2Cl2); recrystd. (CH2Cl2/methanol, -30°C);	65%

: 75-83-2
2,2-Dimethylbutane

: 82721-80-0
1-methyl-4-((phenylsulfonyl)ethynyl)benzene

: 1-methyl-4-(3,3,4-trimethylpent-1-yn-1-yl)benzene

Conditions

Conditions	Yield
With pyridine-4-carbonitrile; 4-cyanopyridine N-oxide; 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane at 50℃; for 12h; Inert atmosphere; Schlenk technique;	64%

: 75-83-2
2,2-Dimethylbutane

: 164400-22-0
Cp(*)W(NO)(η(2)-CPhCH2)(CH2Si(CH3)3)

: Cp*W(NO)(η(2)-CH(η(2)-Ph)CH2CH(tBu)CH2)

Conditions

Conditions	Yield
In neat (no solvent) N2 or Ar-atmosphere; 54°C (24 h), evapn. (vac., 1 h); Et2O addn., filtering, concg. (vac.), crystn. (-30°C, 24 h); elem. anal.;	59%

: 75-83-2
2,2-Dimethylbutane

: 582-61-6
benzoyl azide

A: 114459-70-0
N-(3,3-dimethylbutan-2-yl)benzamide

B: N-(3,3-dimethylbutyl)benzamide

Conditions

Conditions	Yield
With [IPr2*NN]Cu(η2-C6H6) In fluorobenzene at 20℃; Inert atmosphere; Glovebox; Sealed tube;	A 4% B 53%

...Expand

: 75-83-2
2,2-Dimethylbutane

: 103-71-9
phenyl isocyanate

A: 1361973-98-9
2-{2-(3,3-dimethyl)butyl}benzoxazole

B: 2-(2,2-dimethylbutyl)benzoxazole

C: 2-(3,3-dimethyl-butyl)-1H-benzoxazole

Conditions

Conditions	Yield
With di-tert-butyl peroxide; copper diacetate In acetonitrile at 120℃; for 10h; Inert atmosphere; Sealed tube; regioselective reaction;	A 50% B 13% C 18%

...Expand

: 524-38-9
N-hydroxyphthalimide

: 75-83-2
2,2-Dimethylbutane

: 1402842-99-2
C13H15NO3

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene In dichloromethane at 20℃; for 2h;	45%

: 75-83-2
2,2-Dimethylbutane

A: 354-92-7
perfluoroisobutylene

B: 354-96-1
perfluoro(2,3-dimethylbutane)

C: 355-04-4
perfluoroisohexane

D: 865-71-4
perfluoro(3-methylpentane)

E: 1805-22-7
perfluoro(2-methylcyclopentane)

F: 112156-74-8
perfluoro(2,2-dimethylbutane)

Conditions

Conditions	Yield
cobalt (III) fluoride at 360℃; for 3h; Product distribution;	A 7% B 4% C 18% D 16% E 12% F 43%

...Expand

: 75-83-2
2,2-Dimethylbutane

: 646535-41-3
[platinum(IV)(trimethyl)(((4-tert-butyl-2,6-dimethylphenyl)NC(CH3))2CH)]

: 646535-49-1
[Pt(CH(C(CH3)NC6H2(CH3)2C(CH3)3)2)(H)(CH2CHC(CH3)3)]

Conditions

Conditions	Yield
In further solvent(s) heating in neohexane at 35°C for 110-200 h;	40%

2,2-DIMETHYLBUTANE Chemical Properties

The Molecular formula of 2,2-DIMETHYLBUTANE(75-83-2): (CH₃)₃CCH₂CH₃
The Molar mass of 2,2-DIMETHYLBUTANE(75-83-2): 86.17 g/mol
EINECS: 200-906-8
Density: 0.791 g/l, liquid
Melting point: -98.8 °C, 174 K, -146 °F
Boiling point: 49.73 °C, 323 K, 122 °F
Flash point: -29 °C (closed cup)
Solubility in water: Insoluble
vapor density: 2.97 (vs air)
vapor pressure: 5.35 psi ( 20 °C)
refractive index: n20/D 1.369
Appearance: colorless liquid
storage temp.: Flammables area
2,2-Dimethylbutane(75-83-2), trivially known as neohexane, is the isomer of hexane containing a quaternary carbon.It is a hydrocarbon, and it has covalent bonds and is single bonded.
The Structure of 2,2-DIMETHYLBUTANE(75-83-2):

2,2-DIMETHYLBUTANE Uses

2,2-DIMETHYLBUTANE(75-83-2) is used as the additive for the aviation gasoline and motor petrol.
2,2-DIMETHYLBUTANE(75-83-2) is also used in organic synthesis and contrast samples for gas chromatography.

2,2-DIMETHYLBUTANE Toxicity Data With Reference

RTECS: EJ9300000

2,2-DIMETHYLBUTANE Consensus Reports

Reported in EPA TSCA Inventory.

2,2-DIMETHYLBUTANE Safety Profile

Probably an irritant and narcotic in high concentration. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Keep away from heat or open flame. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:

Xn,

N
Risk Statements: 11-38-51/53-65-67
11: Highly Flammable
38: Irritating to the skin
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
65: Harmful: May cause lung damage if swallowed
67: Vapors may cause drowsiness and dizziness
Safety Statements: 9-16-29-33-61-62
9: Keep container in a well-ventilated place
16: Keep away from sources of ignition - No smoking
29: Do not empty into drains
33: Take precautionary measures against static discharges
61: Avoid release to the environment. Refer to special instructions safety data sheet
62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label
RIDADR: UN 1208 3/PG 2
WGK Germany: 3
HazardClass: 3
PackingGroup: II

2,2-DIMETHYLBUTANE Standards and Recommendations

OSHA PEL: TWA 500 ppm; STEL 1000 ppm
ACGIH TLV: TWA 500 ppm; STEL 1000 ppm
DFG MAK: 200 ppm (720 mg/m³)
NIOSH REL: (Alkanes) TWA 350 mg/m³

Product Name

2,2-Dimethylbutane

Synthetic route

2,2-DIMETHYLBUTANE Chemical Properties

2,2-DIMETHYLBUTANE Uses

2,2-DIMETHYLBUTANE Toxicity Data With Reference

2,2-DIMETHYLBUTANE Consensus Reports

2,2-DIMETHYLBUTANE Safety Profile

2,2-DIMETHYLBUTANE Standards and Recommendations

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