Products Categories
| CAS No.: | 79-29-8 |
|---|---|
| Name: | 2,3-Dimethylbutane |
| Molecular Structure: | |
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|
|
| Formula: | C6H14 |
| Molecular Weight: | 86.1772 |
| Synonyms: | 1,1,2,2-Tetramethylethane;2,3-Dimethylbutane; Biisopropyl; Diisopropyl; NSC 24837 |
| EINECS: | 201-193-6 |
| Density: | 0.662 g/mL at 25 °C(lit.) |
| Melting Point: | -129 °C |
| Boiling Point: | 58 °C(lit.) |
| Flash Point: | ?28 °F |
| Appearance: | clear, colorless liquid |
| Hazard Symbols: | Flammable, dangerous fire and explosion risk. |
| Risk Codes: | 11-65 |
| 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 and open flame. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. |
| Transport Information: | UN 2457 3 |
| PSA: | 0.00000 |
| LogP: | 2.29840 |
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| Conditions | Yield |
|---|---|
| With C40H56N2RuSi4; hydrogen In toluene at 25℃; under 760.051 Torr; for 6h; Schlenk technique; | 99% |
| With C40H56FeN2Si4(2-); hydrogen In 1,2-dimethoxyethane at 80℃; under 7600.51 Torr; for 6h; Schlenk technique; Autoclave; | 99% |
| 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 24h; Reagent/catalyst; | 91% |
| Conditions | Yield |
|---|---|
| With C28H32PZr(1+)*C19H3BF15(1-); hydrogen at 20℃; for 2h; Reagent/catalyst; Glovebox; Schlenk technique; | 89% |
| at 82℃; Hydrogenation; | |
| With nickel kieselguhr under 73550.8 Torr; Hydrogenation; |
- 12176-06-6
hydrido(tricarbonyl)(cyclopentadienyl)molybdenum
- 1493-13-6
trifluorormethanesulfonic acid
- 563-78-0
2,3-Dimethyl-1-butene
B
- 79-29-8
2,3-dimethylbutane
| Conditions | Yield |
|---|---|
| In dichloromethane-d2 react. at -75°C for 5 min; quenching by pyridine, detecting by n.m.r. spectroscopy; | A n/a B 86% |
- 87050-44-0
(η5-pentamethylcyclopentadienyl)hafnium(2,3-dimethyl-1,3-butadiene)chloride
- 1333-74-0
hydrogen
A
- 563-79-1
2,3-Dimethyl-2-butene
B
- 113180-42-0
tetrakis{(pentamethylcyclopentadienyl)hafnium dihydride chloride}*(toluene)0.5
C
- 79-29-8
2,3-dimethylbutane
| Conditions | Yield |
|---|---|
| In toluene A pressure vessel is filled with a soln. of (C5Me5)Hf(C6H10)Cl in toluene and charged with 10 atm of H2, reaction mixture is stirred overnight at 70°C under N2.; Excess H2 is released, hot soln. is transferred into a Schlenk vessel, cooling of the soln. to room temp., a bright yellow ppt. is formed, solvent is decanted, ppt. is redissolved (hot toluene), slow cooling to -30°C, elem. anal.; | A n/a B 56% C n/a |
- 513-81-5
2,3-dimethyl-buta-1,3-diene
A
- 563-79-1
2,3-Dimethyl-2-butene
B
- 79-29-8
2,3-dimethylbutane
C
- 563-78-0
2,3-Dimethyl-1-butene
| Conditions | Yield |
|---|---|
| With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.25h; Product distribution; Ambient temperature; various time; | A 39.3% B 0.05% C 52.2% |
| With hydrogen; 1,5-hexadienerhodium(I)-chloride dimer In various solvent(s) for 2h; Ambient temperature; pH=7.6; | A 27% B 25% C 22% |
| With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; hydrogen; disodium salt of the bis(m-sulfonatophenyl)-n-butylphosphane at 60℃; under 22502.3 Torr; for 6h; Ionic liquid; chemoselective reaction; |
- 1418118-69-0
C30H74O6Si6
A
- 110-54-3
hexane
B
- 96-14-0
3-methylpentane
C
- 107-83-5
2-Methylpentane
D
- 79-29-8
2,3-dimethylbutane
| Conditions | Yield |
|---|---|
| With H2SiEt2; [(2,6-[OP(tBu)2]2C6H3)Ir(H)(acetone)]+[B(C6F5)4]- for 336h; Inert atmosphere; Glovebox; | A 45% B 6% C 8% D n/a |
- 1516-68-3
O,O-diethyl azidophosphate
A
- 1068-21-9
Diethyl phosphoramidate
B
- 79-29-8
2,3-dimethylbutane
C
- 123150-70-9
(1,1,2-Trimethyl-propyl)-phosphoramidic acid diethyl ester
D
- 123150-71-0
(2,3-Dimethyl-butyl)-phosphoramidic acid diethyl ester
| Conditions | Yield |
|---|---|
| In various solvent(s) at 22℃; Irradiation; | A 40.1% B n/a C 28.2% D 30.6% |
- 67-56-1
methanol
- 563-79-1
2,3-Dimethyl-2-butene
A
- 79-29-8
2,3-dimethylbutane
B
- 55505-23-2
2,2,3-trimethyl-1-butanol
C
- 52670-36-7
hexamethyl-2,3,3,4,4,5 hexane
| Conditions | Yield |
|---|---|
| With europium(III) chloride In methanol for 8h; Irradiation; | A 26% B 37% C 4% |
- 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 | 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; |
- 1418118-67-8
C22H52O5Si4
A
- 110-54-3
hexane
B
- 96-14-0
3-methylpentane
C
- 107-83-5
2-Methylpentane
D
- 79-29-8
2,3-dimethylbutane
| Conditions | Yield |
|---|---|
| With H2SiEt2; [(2,6-[OP(tBu)2]2C6H3)Ir(H)(acetone)]+[B(C6F5)4]- for 336h; Inert atmosphere; Glovebox; | A 17% B 32% C 31% D n/a |
- Total:12 Page 1 of 1 1
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Chemistry
Molecular Structure of 2,3-Dimethylbutane (CAS NO.79-29-8):
EINECS: 201-193-6
IUPAC Name: 2,3-Dimethylbutane
Molecular Formula: C6H14
Molecular Weight: 86.175360 g/mol
XLogP3: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 0
Canonical SMILES: CC(C)C(C)C
InChI: InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
InChIKey: ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
Index of Refraction: 1.38
Molar Refractivity: 29.76 cm3
Molar Volume: 128.3 cm3
Surface Tension: 18.3 dyne/cm
Density: 0.671 g/cm3
Enthalpy of Vaporization: 27.38 kJ/mol
Boiling Point: 58.7 °C at 760 mmHg
Vapour Pressure: 220 mmHg at 25 °C
Melting Point: -129 °C
Water Solubility: 44.29 mg/L at 25 °C
Refractive Index: n20/D 1.375(lit.)
Storage Temp.: Flammables area
BRN: 1730737
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 2,3-Dimethylbutane (CAS NO.79-29-8):
Hazard Codes: F 
,Xn 
Risk Statements: 11-65
R11:Highly flammable
R65:Harmful: may cause lung damage if swallowed
Safety Statements: 16-23-33-62
S16:Keep away from sources of ignition
S23:Do not breathe vapour
S33:Take precautionary measures against static discharges
S62:If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label
RIDADR: UN 2457 3/PG 2
WGK Germany: 3
RTECS: EJ9350000
HazardClass: 3
PackingGroup: II
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 and open flame. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
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: TWA (Alkanes) 350 mg/m3
DOT Classification: 3; Label: Flammable Liquid
Specification
2,3-Dimethylbutane is a colourless liquid with CAS Registry Number of 79-29-8. It is an isomer of hexane, also known as 1,1,2,2-Tetramethylethane ; Biisopropyl ; Butane, 2,3-dimethyl- ; CCRIS 6020 ; Diisopropyl ; HSDB 76 ; NSC 24837 ; 2,3-Dimethylbutane [UN2457] [Flammable liquid] ; UN2457 . It is incompatible with strong oxidizing agents. When heated to decomposition, it yields Carbon monoxide , Carbon dioxide . 2,3-Dimethylbutane is used as gas chromatography standard.