2-Butanol, 3-methyl- supplier

Name
3-Methyl-2-butanol
EINECS 209-950-2
CAS No. 598-75-4
Article Data218
CAS DataBase
Density 0.806 g/cm³
Solubility
Melting Point
Formula C₅H₁₂O
Boiling Point 113.6 °C at 760 mmHg
Molecular Weight 88.1497
Flash Point 26.7 °C
Transport Information
Appearance clear colourless liquid
Safety 46
Risk Codes 10-20-37-66
Molecular Structure
Hazard Symbols Xn
Synonyms (?à)-2-Methyl-3-Butanol;(?à)-3-Methyl-2-butanol;1,2-Dimethyl-1-propanol;1,2-Dimethylpropanol;1,2-Dimethylpropyl alcohol;2-Methyl-3-butanol;3-Methyl-2-butanol;Methylisopropylcarbinol;NSC 71162;sec-Isoamyl alcohol;
PSA 20.23000
LogP 1.02320

Synthetic route

: 563-80-4
3-methyl-butan-2-one

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With [(η5-C7H11)Ru(N,N’-bis(1,3,4,5-tetramethylimidazolin-2-ylidene)-1,2-ethanediamine)]BF; potassium hydroxide In isopropyl alcohol at 82℃; for 1h;	99%
With tris(pentafluorophenyl)borate; hydrogen In toluene at 60℃; under 45603.1 Torr; for 12h; Reagent/catalyst; Molecular sieve;	94%
With [(η6-p-cymene)ruthenium(II)Cl((C5H4N)-2-CHNC(CH3)3)](hexafluorophosphate); sodium hydroxide In isopropyl alcohol at 82℃; for 16h; Catalytic behavior; Inert atmosphere; Schlenk technique; Reflux;	88%

: 563-80-4
3-methyl-butan-2-one

: 621-84-1
O-benzyl carbamate

A: 598-75-4
3-methyl-2-butanol

B: 1444616-55-0
benzyl (3-methylbutan-2-yl)carbamate

Conditions

Conditions	Yield
With triethylsilane; sodium hexaflorophosphate; perrhenic acid anhydride In dichloromethane at 50℃; for 30h; chemoselective reaction;	A n/a B 95%

...Expand

: (2S,3R)-3-Hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-yl-pentane-1-selone

A: 7335-07-1
N-propylpyrrolidine

B: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 2h;	A n/a B 84%

: 5076-19-7
trimethyloxirane

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
Stage #1: trimethyloxirane With Al-trifluoromethanesulfonyldiisobutylalane In diethyl ether at 25℃; for 6h; Meerwein-Ponndorf-Verley reduction; Inert atmosphere; Stage #2: With hydrogenchloride; water In diethyl ether regioselective reaction;	74%
With lithium aluminium tetrahydride; aluminium trichloride; diethyl ether
Stage #1: trimethyloxirane With Al-methanesulfonyldiisobutylalane In diethyl ether at 25℃; for 120h; Inert atmosphere; Stage #2: With hydrogenchloride; water In diethyl ether for 2h; Inert atmosphere; regioselective reaction;
With Al-trifluoromethanesulfonyldiisobutylalane In diethyl ether at 25℃; for 6h; Meerwein-Ponndorf-Verley reduction; Inert atmosphere; regioselective reaction;

: 78-78-4
methylbutane

A: 563-80-4
3-methyl-butan-2-one

B: 75-85-4
tert-Amyl alcohol

C: 96-17-3, 57456-98-1
2-Methylbutyraldehyde

D: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With [2,2]bipyridinyl; Ba; trifluoroacetic acid In dichloromethane at 20℃; for 0.0333333h;	A 11% B 70% C 4.5% D n/a
With [2,2]bipyridinyl; Ba; trifluoroacetic acid In dichloromethane at 20℃; for 0.0333333h; Product distribution;	A 11% B 70% C 4.5% D n/a

...Expand

: 20458-43-9
methylcalcium iodide

: 78-84-2
isobutyraldehyde

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With dibenzo-18-crown-6 In diethyl ether; benzene	67%

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

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
Stage #1: 2-methyl-but-2-ene With sodium tetrahydroborate; malonic acid In tetrahydrofuran at 25℃; Stage #2: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran; water for 16h; Heating; Further stages.;	30.3%
With sodium hydroxide; borane-1,4-oxathiane; dihydrogen peroxide Product distribution; Kinetics; multistep reaction; various solvents; regioselectivity of various borane reagents; also other olefines;	100 % Chromat.
With sodium borate; aluminium trichloride; diethylene glycol dimethyl ether und Behandeln des Reaktionsprodukts mit wss.Natronlauge und wss.Wasserstoffperoxid;

: 917-64-6
methyl magnesium iodide

: 145904-34-3
O-(1-Benzotriazol-1-yl-2-methylpropyl)benzophenone oxime

A: 598-75-4
3-methyl-2-butanol

B: O-(1,2-Dimethoxypropyl)benzophenone oxime

Conditions

Conditions	Yield
In diethyl ether; toluene Heating;	A n/a B 12%
In diethyl ether; toluene Mechanism; Heating; other Grignard reagents, other O-(1-benzotriazolylalkyl)oximes; Grignard reactions of O-(1-benzotriazolylalkyl)oximes;	A n/a B 12%

...Expand

: 558-30-5
2-methyl-1,2-epoxypropane

: 60-29-7
diethyl ether

: 75-16-1
methylmagnesium bromide

: 598-75-4
3-methyl-2-butanol

...Expand

: 558-30-5
2-methyl-1,2-epoxypropane

: 75-16-1
methylmagnesium bromide

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With diethyl ether

: 563-80-4
3-methyl-butan-2-one

: 28276-08-6
1,1-dimethylpropylmagnesium chloride

A: 598-75-4
3-methyl-2-butanol

B: 16466-21-0
2,5,6-trimethylhept-4-en-3-one

...Expand

: 563-80-4
3-methyl-butan-2-one

: 65673-06-5
dimethyl(ethyl)methylmagnesium bromide

A: 598-75-4
3-methyl-2-butanol

B: 54862-89-4
5-hydroxy-2,5,6-trimethyl-heptan-3-one

...Expand

: 563-80-4
3-methyl-butan-2-one

A: 598-75-4
3-methyl-2-butanol

B: 16466-21-0
2,5,6-trimethylhept-4-en-3-one

Conditions

Conditions	Yield
With diethyl ether; 1,1-dimethylpropylmagnesium chloride zuletzt bei Siedetemperatur;

: 814-78-8
3-Methyl-3-buten-2-one

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With ethanol; nickel at 80℃; under 73550.8 Torr; Hydrogenation;

: 920-39-8
isopropylmagnesium bromide

: 75-07-0
acetaldehyde

: 598-75-4
3-methyl-2-butanol

: 60-29-7
diethyl ether

: 1068-55-9
isopropylmagnesium chloride

: 141-78-6
ethyl acetate

A: 563-80-4
3-methyl-butan-2-one

B: 598-75-4
3-methyl-2-butanol

C: 54862-89-4
5-hydroxy-2,5,6-trimethyl-heptan-3-one

D: 7307-03-1
5-methylhexane-2,4-dione

Conditions

Conditions	Yield
Produkt5:3-Hydroxy-3,4-dimethyl-valeriansaeure-aethylester;

...Expand

: 917-64-6
methyl magnesium iodide

: 105-39-5
chloroacetic acid ethyl ester

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With diethyl ether

: 60-29-7
diethyl ether

: 75-16-1
methylmagnesium bromide

: 105-39-5
chloroacetic acid ethyl ester

: 598-75-4
3-methyl-2-butanol

...Expand

: 75-16-1
methylmagnesium bromide

: 105-39-5
chloroacetic acid ethyl ester

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With diethyl ether

: 917-64-6
methyl magnesium iodide

: 105-36-2
ethyl bromoacetate

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With diethyl ether

: 75-16-1
methylmagnesium bromide

: 105-36-2
ethyl bromoacetate

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With diethyl ether

: 75-16-1
methylmagnesium bromide

: 78-84-2
isobutyraldehyde

: 598-75-4
3-methyl-2-butanol

: methyl magnesium (1+); bromide

: 78-84-2
isobutyraldehyde

: 598-75-4
3-methyl-2-butanol

: 75-16-1
methylmagnesium bromide

: 78-95-5
chloroacetone

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With diethyl ether

: methylmagnesium iodide

: 78-95-5
chloroacetone

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
Einw. von 2 Mol.-Gew.Methylmagnesiumjodid;

...Expand

: methyl magnesium (1+); bromide

: 78-95-5
chloroacetone

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
Einw. von 2 Mol.-Gew.Methylmagnesiumbromid;

...Expand

: 917-64-6
methyl magnesium iodide

: 79-04-9
chloroacetyl chloride

: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With diethyl ether

: 60-29-7
diethyl ether

: 75-16-1
methylmagnesium bromide

: 79-04-9
chloroacetyl chloride

: 598-75-4
3-methyl-2-butanol

...Expand

: 544-97-8
dimethyl zinc(II)

: 79-04-9
chloroacetyl chloride

: 598-75-4
3-methyl-2-butanol

: 598-75-4
3-methyl-2-butanol

: 2-fluoro-5-nitrophenyldiazonium tetrafluoroborate

: 2-((3-methylbutan-2-yl)oxy)-5-nitrobenzenediazonium tetrafluoroborate

Conditions

Conditions	Yield
In dimethylsulfoxide-d6; [D3]acetonitrile at 40℃; for 15h; Inert atmosphere;	100%

: 598-75-4
3-methyl-2-butanol

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With water; dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; sodium tungstate at 100℃; for 0.166667h; Oxidation; microwave irradiation;	94%
With potassium permanganate; Rexyn 101 H ion exchange resin In dichloromethane for 4.3h; Heating;	92%
In neat (no solvent) at 20℃; for 0.0666667h; Microwave irradiation;	89%

: 598-75-4
3-methyl-2-butanol

: 98-59-9
p-toluenesulfonyl chloride

: 26466-06-8
3-methylbutan-2-yl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With pyridine at 0℃; for 26h;	94%
With pyridine; dmap In dichloromethane for 20h;	75%
With dmap; triethylamine In dichloromethane at 20℃; for 2h;	70.3%

: 598-75-4
3-methyl-2-butanol

: 56002-69-8
trimethyl-(1H,1H,3H-tetrafluoropropoxy)silane

: 18246-76-9
(1,2-dimethyl-propoxy)-trimethyl-silane

Conditions

Conditions	Yield
at 20℃; for 1h;	92.5%

: 598-75-4
3-methyl-2-butanol

: 108-24-7
acetic anhydride

: 5343-96-4
3-methylbutan-2-yl acetate

Conditions

Conditions	Yield
With dmap; potassium carbonate In ethyl acetate at 20℃; for 24h;	90%

: 598-75-4
3-methyl-2-butanol

: 613-94-5
benzoic acid hydrazide

: 93138-64-8
N′-(3-methylbutan-2-yl)benzohydrazide

Conditions

Conditions	Yield
With nickel(II) triflate; 1,3-bis(dicyclohexylphosphine)propane In tert-Amyl alcohol at 120℃; for 24h; Inert atmosphere; Glovebox; Schlenk technique; Molecular sieve;	90%
With nickel(II) triflate; 1,1,1,3',3',3'-hexafluoro-propanol; 1,3-bis(dicyclohexylphosphine)propane In tert-Amyl alcohol at 120℃; for 24h; Inert atmosphere; Schlenk technique; Molecular sieve; Sealed tube;	90%

: 598-75-4
3-methyl-2-butanol

: 6779-09-5
ethylphosphonic acid

: 151299-67-1
C6H15O3P

Conditions

Conditions	Yield
With Celite; dicyclohexyl-carbodiimide at 50 - 60℃; for 1.33333h;	89%

: 598-75-4
3-methyl-2-butanol

: 104-94-9
4-methoxy-aniline

: (S)-4-methoxy-N-(3-methylbutan-2-yl)aniline

Conditions

Conditions	Yield
With (R)-3,3'-bis(2,4,6-triisopropylphenyl)binol phosphoric acid; (C5(CH3)5)Ir(NHCH(C6H5)CH(C6H5)NSO2C6(CH3)5) In tert-Amyl alcohol for 24h; Inert atmosphere; Glovebox; Molecular sieve; Reflux; enantioselective reaction;	88%

: 75-77-4
chloro-trimethyl-silane

: 598-75-4
3-methyl-2-butanol

: 18246-76-9
(1,2-dimethyl-propoxy)-trimethyl-silane

Conditions

Conditions	Yield
With urea at 20℃; for 4h;	86.9%

: 598-75-4
3-methyl-2-butanol

: 132353-23-2
2-(benzyloxy)-4,6-dimethoxy-1,3,5-triazin

: 41757-90-8
3-methyl-2-butylbenzoate

Conditions

Conditions	Yield
With magnesium bromide In dichloromethane for 120h; Ambient temperature;	85%

: 598-75-4
3-methyl-2-butanol

: 100-51-6
benzyl alcohol

: 40463-09-0
4-methyl-1-phenylpentan-3-one

Conditions

Conditions	Yield
Stage #1: 3-methyl-2-butanol With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H2O) In tert-Amyl alcohol at 20℃; for 6h; Reflux; Stage #2: benzyl alcohol With caesium carbonate In tert-Amyl alcohol for 6h; Reflux;	85%

: 491-35-0
C6H4NCH2CHCCH2

: 598-75-4
3-methyl-2-butanol

: 91879-71-9
2-isopropyl-4-methylquinoline

Conditions

Conditions	Yield
With bis-[(trifluoroacetoxy)iodo]benzene In dichloromethane at 20℃; for 2h; Irradiation;	85%

: 598-75-4
3-methyl-2-butanol

: 618-39-3
benzamidin

: 100-51-6
benzyl alcohol

: 1402611-35-1
4-isopropyl-2,6-diphenylpyrimidine

Conditions

Conditions	Yield
With platinum on activated charcoal; potassium tert-butylate In toluene for 24h; Reflux;	84%
With C49H40N3O2P2Ru(1+)*Cl(1-); potassium tert-butylate In 1,4-dioxane at 120℃; for 24h; Sealed tube; Schlenk technique;	58%

...Expand

: 598-75-4
3-methyl-2-butanol

: para-sec-butylphenyl triflate

: 1-(sec-butyl)-4-((3-methylbutan-2-yl)oxy)benzene

Conditions

Conditions	Yield
With Trimethyl borate; acetone; trifluoroacetic acid at 15℃; UV-irradiation; Inert atmosphere;	84%

: 598-75-4
3-methyl-2-butanol

: 106-49-0
p-toluidine

: 84056-08-6
4-methyl-N-(3-methylbutan-2-yl)aniline

Conditions

Conditions	Yield
With NiCuFeO(x) In 5,5-dimethyl-1,3-cyclohexadiene for 24h; Inert atmosphere; Sealed tube; Reflux;	83%

: 598-75-4
3-methyl-2-butanol

: 695-84-1
2-allylphenol

: 2-(1-(3-methylbutan-2-yloxy)ethyl)phenol

Conditions

Conditions	Yield
With air; 1-Phenylethanol; copper dichloride; Pd((-)-sparteine)2Cl2 In dichloromethane at 20℃; for 24h;	82%

: 598-75-4
3-methyl-2-butanol

: 201230-82-2
carbon monoxide

: 106-99-0
buta-1,3-diene

: bis(3-methylbutan-2-yl) adipate

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; toluene-4-sulfonic acid; 1,2-bis[di(t-butyl)phosphinomethyl]benzene In toluene at 120℃; under 30003 Torr; for 24h; Autoclave; Green chemistry; regioselective reaction;	82%

...Expand

: 576-26-1
2.6-dimethylphenol

: 598-75-4
3-methyl-2-butanol

: 2,6-dimethylphenyl 1,2-dimethylpropyl ether

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triethylamine; triphenylphosphine In tetrahydrofuran at 0 - 20℃; Mitsunobu reaction;	81%

: 75-15-0
carbon disulfide

: 598-75-4
3-methyl-2-butanol

: 65944-13-0
potassium O-(1,2-dimethylpropyl)xanthogenate

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran at 20℃; for 24h;	80%
With potassium hydroxide In tetrahydrofuran at 20℃; for 24h;	80%

: 598-75-4
3-methyl-2-butanol

: 100-51-6
benzyl alcohol

: 68426-07-3
(+/-)-1-phenyl-5-methylpentan-3-ol

Conditions

Conditions	Yield
With sodium t-butanolate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] In toluene at 110℃; for 17h;	78%
With C28H26ClN6Ru(1+)*F6P(1-); sodium isopropylate In toluene at 125℃; for 3h; Time; Schlenk technique; Inert atmosphere; Sealed tube; Glovebox; Green chemistry;	60%
With [(6,6’-dihydroxy-2,2’-bipyridine)Ru(H)(CO)(PPh3)2]Cl; potassium tert-butylate In toluene at 130℃; for 4h; Inert atmosphere; Schlenk technique;

: 598-75-4
3-methyl-2-butanol

: 25979-07-1
tert-butyldichlorophosphine

: 1202279-16-0
1,2-dimethyl-1-propyl tert-butylphosphono-chloridite

Conditions

Conditions	Yield
Stage #1: 3-methyl-2-butanol With n-butyllithium In diethyl ether; hexane at -50 - 25℃; Inert atmosphere; Stage #2: tert-butyldichlorophosphine In diethyl ether; hexane at -50 - 25℃; Inert atmosphere;	78%

: 598-75-4
3-methyl-2-butanol

: 335-64-8
pentadecafluorooctanoyl chloride

: 3-methylbut-2-yl perfluorooctanoate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;	78%

: 598-75-4
3-methyl-2-butanol

: 128010-20-8
Se-Phenylethynyl selenoacetate

: 128010-26-4
O-(1,2-Dimethylpropyl) α-phenylselenoacetate

Conditions

Conditions	Yield
toluene-4-sulfonic acid In tetrahydrofuran at 80℃;	77%

: 118-48-9
isatoic anhydride

: 598-75-4
3-methyl-2-butanol

: 3-methylbutan-2-yl 2-aminobenzoate

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane at 100℃; for 12h;	77%

: 598-75-4
3-methyl-2-butanol

: 1079-66-9
chloro-diphenylphosphine

: 1202278-81-6
1,2-dimethyl-1-propyl diphenylphosphinite

Conditions

Conditions	Yield
With triethylamine In benzene at 0 - 25℃; Inert atmosphere;	76%

: 598-75-4
3-methyl-2-butanol

: 359-63-7
N,N-bis(trifluoromethyl)hydroxylamine

A: 32872-23-4
2-(bistrifluoromethylamino-oxy)-2-methylbutane

B: 81926-09-2
2-(bistrifluoromethylamino-oxy)-3-methylbutane

Conditions

Conditions	Yield
With sulfuric acid for 6h;	A 75% B 14%

...Expand

2-Butanol, 3-methyl- Specification

The 2-Butanol, 3-methyl-, with CAS registry number 598-75-4, has the systematic name of 3-methylbutan-2-ol. Besides this, it is also called Isopropylmethylcarbinol. This chemical is a kind of clear colourless liquid. And the chemical formula of this chemical is C₅H₁₂O. The main use of this chemical is for solvent and raw ingredients.

Physical properties of 2-Butanol, 3-methyl-: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.63; (6)ACD/BCF (pH 7.4): 3.63; (7)ACD/KOC (pH 5.5): 87.5; (8)ACD/KOC (pH 7.4): 87.5; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.402; (14)Molar Refractivity: 26.66 cm³; (15)Molar Volume: 109.3 cm³; (16)Polarizability: 10.57×10^-24cm³; (17)Surface Tension: 24.2 dyne/cm; (18)Density: 0.806 g/cm³; (19)Flash Point: 26.7 °C; (20)Enthalpy of Vaporization: 41.03 kJ/mol; (21)Boiling Point: 113.6 °C at 760 mmHg; (22)Vapour Pressure: 10.6 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Butanol, 3-methyl- is flammable. This chemical is harmful by inhalation. And it irritates to respiratory system. When repeated exposure, it may cause skin dryness or cracking. If swallowed, seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)C(C)C
(2)InChI: InChI=1/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
(3)InChIKey: MXLMTQWGSQIYOW-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
(5)Std. InChIKey: MXLMTQWGSQIYOW-UHFFFAOYSA-N

Product Name

3-Methyl-2-butanol

Synthetic route

2-Butanol, 3-methyl- Specification

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