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Name	2,3-Dimethylbutane	EINECS	201-193-6
CAS No.	79-29-8	Density	0.662 g/mL at 25 °C(lit.)
PSA	0.00000	LogP	2.29840
Solubility	N/A	Melting Point	-129 °C
Formula	C6H14	Boiling Point	58 °C(lit.)
Molecular Weight	86.1772	Flash Point	?28 °F
Transport Information	UN 2457 3	Appearance	clear, colorless 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 and open flame. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.	Risk Codes	11-65
Molecular Structure		Hazard Symbols	Flammable, dangerous fire and explosion risk.
Synonyms	1,1,2,2-Tetramethylethane;2,3-Dimethylbutane; Biisopropyl; Diisopropyl; NSC 24837	Article Data	314

2,3-Dimethylbutane Synthetic route

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

: 79-29-8
2,3-dimethylbutane

Conditions

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%

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: 79-29-8
2,3-dimethylbutane

Conditions

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

A: (η5-C5H5)(OC)3MoOSO2CF3

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

Conditions

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

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

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

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

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

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

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

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

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

2,3-Dimethylbutane Chemical Properties

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

2,3-Dimethylbutane Consensus Reports

Reported in EPA TSCA Inventory.

2,3-Dimethylbutane Safety Profile

Safety Information of 2,3-Dimethylbutane (CAS NO.79-29-8):
Hazard Codes: F ,Xn Harmful
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.

2,3-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: TWA (Alkanes) 350 mg/m³
DOT Classification: 3; Label: Flammable Liquid

2,3-Dimethylbutane 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.

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