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| CAS No.: | 598-75-4 |
|---|---|
| Name: | 3-Methyl-2-butanol |
| Article Data: | 218 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H12O |
| Molecular Weight: | 88.1497 |
| 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; |
| EINECS: | 209-950-2 |
| Density: | 0.806 g/cm3 |
| Boiling Point: | 113.6 °C at 760 mmHg |
| Flash Point: | 26.7 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-20-37-66 |
| Safety: | 46 |
| PSA: | 20.23000 |
| LogP: | 1.02320 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| 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 | Yield |
|---|---|
| With triethylsilane; sodium hexaflorophosphate; perrhenic acid anhydride In dichloromethane at 50℃; for 30h; chemoselective reaction; | A n/a B 95% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 2h; | A n/a B 84% |
| 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 | 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 |
| Conditions | Yield |
|---|---|
| With dibenzo-18-crown-6 In diethyl ether; benzene | 67% |
| 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
| 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% |
- 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
| Conditions | Yield |
|---|---|
| With diethyl ether |
- Total:29 Page 1 of 1 1
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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