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Basic Information
| CAS No.: | 75-83-2 |
|---|---|
| Name: | 2,2-Dimethylbutane |
| Molecular Structure: | |
|
|
|
| Formula: | C6H14 |
| Molecular Weight: | 86.1772 |
| Synonyms: | 2,2-Dimethylbutane;3,3-Dimethylbutane; NSC 74126; Neohexane |
| EINECS: | 200-906-8 |
| Density: | 0.649 |
| Melting Point: | -115 ºC |
| Boiling Point: | 50 ºC |
| Flash Point: | -48 ºC |
| Solubility: | insoluble |
| Appearance: | Liquid. |
| Hazard Symbols: | F;Xn;N |
| Risk Codes: | R11;R38;R51/53;R65;R67 |
| 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. |
| Transport Information: | UN 1208 |
| PSA: | 0.00000 |
| LogP: | 2.44250 |
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Synthetic route
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
Conditions
| Conditions | Yield |
|---|---|
| <(phen)PdCH3(Et2O)>+- In dichloromethane at 25℃; for 24h; Yields of byproduct given; | A n/a B 94% |
...Expand
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
Conditions
| Conditions | Yield |
|---|---|
| With hydrogenchloride; aluminium trichloride In dichloromethane at 20℃; for 1h; | 92% |
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
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
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2,2-Dimethylbutane
Chemistry
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):
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):
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(75-83-2) is also used in organic synthesis and contrast samples for gas chromatography.
Toxicity Data With Reference
RTECS: EJ9300000
Consensus Reports
Reported in EPA TSCA Inventory.
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:
F,
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
Hazard Codes:
F,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
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
ACGIH TLV: TWA 500 ppm; STEL 1000 ppm
DFG MAK: 200 ppm (720 mg/m3)
NIOSH REL: (Alkanes) TWA 350 mg/m3