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CAS No.: | 2517-43-3 |
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Name: | 3-Methoxy-1-butanol |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C5H12O2 |
Molecular Weight: | 104.149 |
Synonyms: | 3-Methoxybutanol;NSC 65580;1-Butanol,3-methoxy-;3-Methoxybutanol;3-methoxybutan-1-ol;1,3-butyleneglycol monomethyl ether; |
EINECS: | 219-741-8 |
Density: | 0.903 g/cm3 |
Melting Point: | -85 °C |
Boiling Point: | 162.576 °C at 760 mmHg |
Flash Point: | 46.667 °C |
Solubility: | soluble in water |
Appearance: | Clear colourless liquid |
Hazard Symbols: | R10:; |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 1987 |
PSA: | 29.46000 |
LogP: | 0.40370 |
1-acetoxy-3-(chloromethoxy)butane
3-methoxy butanol
Conditions | Yield |
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With lithium aluminium tetrahydride In diethyl ether for 2h; Ambient temperature; | 80% |
Conditions | Yield |
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With nickel; copper at 150 - 180℃; Hydrogenation; | |
With methanol; nickel pumice stone at 90 - 100℃; under 18387.7 Torr; Hydrogenation; | |
With nickel at 150 - 180℃; Hydrogenation; |
3-methoxy butanol
Conditions | Yield |
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With lithium aluminium tetrahydride; diethyl ether |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 86 percent / ZnCl2 / pentane / 1 h 2: 80 percent / LiAlH4 / diethyl ether / 2 h / Ambient temperature View Scheme |
Conditions | Yield |
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With dicobalt octacarbonyl; triisobutylphosphane; hydrogen; zinc dibromide In tert-butyl methyl ether at 150℃; under 7500.75 - 97509.8 Torr; for 4h; Solvent; Reagent/catalyst; Temperature; Glovebox; Autoclave; |
methanol
methyloxirane
A
3-methoxy butanol
B
propylene glycol methyl ether
Conditions | Yield |
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With silica-P123-templated Ce doped Mg/Al-double oxide at 120℃; for 8h; Reagent/catalyst; Temperature; Concentration; |
Conditions | Yield |
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With hydrogenchloride; sodium hydroxide; CO2 In water | 95.4% |
With CO2; potassium carbonate In water | 87.4% |
3-methoxy butanol
Conditions | Yield |
---|---|
With phosphate buffer; propanoic acid methyl ester for 20h; Ambient temperature; | 93% |
Conditions | Yield |
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Stage #1: cyanoacetic acid With trifluoroacetic anhydride In acetonitrile at 22℃; for 3h; Inert atmosphere; Stage #2: 3-methoxy butanol In acetonitrile at 22℃; for 3h; | 91% |
toluene-4-sulfonic acid In toluene Reflux; |
Conditions | Yield |
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With phosphate buffer for 20h; Ambient temperature; hog liver carboxylesterase catalyzed transesterification; | 88% |
The 3-Methoxy-1-butanol with cas registry number of 2517-43-3, is also called 3-Methoxybutanol ; 1-Butanol,3-methoxy- .The 3-Methoxy-1-butanol belongs to the following product categorie: (1)Alcohols; (2)C2 to C6; (3)Oxygen Compounds .
Physical properties of 3-Methoxy-1-butanol :(1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.14; (8)ACD/KOC (pH 7.4): 23.14; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 28.45 cm3; (15)Molar Volume: 115.3 cm3; (16)Polarizability: 11.27×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Enthalpy of Vaporization: 46.48 kJ/mol; (19)Vapour Pressure: 0.738 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 3-Methoxy-1-butanol is flammable, so keep it away from sources of ignition.
You can still convert the following datas into molecular structure: (1)SMILES:OCCC(OC)C; (2)InChI:InChI=1/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3; (3)InChIKey:JSGVZVOGOQILFM-UHFFFAOYAT; (4)Std. InChI:InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3; (5)Std. InChIKey:JSGVZVOGOQILFM-UHFFFAOYSA-N .