3-Methoxy-1-butanol

Base Information

• Chemical Name: 3-Methoxy-1-butanol
• CAS No.: 2517-43-3
• Deprecated CAS: 89378-53-0
• Molecular Formula: C5H12O2
• Molecular Weight: 104.149
• Hs Code.: 29094980
• European Community (EC) Number: 219-741-8
• NSC Number: 65580
• UNII: SJ995B41AO
• DSSTox Substance ID: DTXSID0044812
• Nikkaji Number: J2.160A
• Wikidata: Q27289241
• ChEMBL ID: CHEMBL3186019
• Mol file: 2517-43-3.mol

Synonyms:3-Methoxybutan-1-ol;3-METHOXY-1-BUTANOL;2517-43-3;3-Methoxybutanol;1-Butanol, 3-methoxy-;Methoxybutanol;CCRIS 8976;1-Butanol, 3-methoxy-, (-)-;EINECS 219-741-8;NSC 65580;UNII-SJ995B41AO;AI3-24920;SJ995B41AO;DTXSID0044812;NSC-65580;1,3-butylene glycol 3-monomethyl ether;EC 219-741-8;3-methoxybutyl alcohol;3-methoxy-butanol;NSC65580;98%;3-methoxybutane-1-ol;3-methoxy-butan-1-ol;NCIOpen2_000145;SCHEMBL28708;3-Methoxy-1-butanol, 99%;3-METHOXYBUTANOL [INCI];CHEMBL3186019;DTXCID8024812;CHEBI:189086;Tox21_301623;MFCD00002931;AKOS015903512;CS-W013686;NCGC00256054-01;CAS-2517-43-3;LS-165878;FT-0615965;M0109;EN300-94645;D77758;A877677;J-015851;Q27289241;F0001-0848

Chemical Property of 3-Methoxy-1-butanol

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 0.738mmHg at 25°C
• Melting Point: -85 °C
• Refractive Index: n20/D 1.416(lit.)
• Boiling Point: 162.576 °C at 760 mmHg
• PKA: 14.90±0.10(Predicted)
• Flash Point: 46.667 °C
• PSA: 29.46000
• Density: 0.903 g/cm³
• LogP: 0.40370
• Storage Temp.: Flammables area
• Water Solubility.: SOLUBLE
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 104.083729621
• Heavy Atom Count: 7
• Complexity: 37.1

Purity/Quality:

98% ^*data from raw suppliers

3-Methoxy-1-butanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CCO)OC
• Uses: High-boiling lacquer solvent, coupling agent for brake fluids, intermediate for plasticizers, herbicides, film-forming additive in PVA emulsions, solvent for pharmaceuticals. 3-Methoxy-1-butanol can be used as: A solvent in the synthesis of potassium 3-methoxy-1-butylxanthate, an intermediate used in the preparation of xanthate complexes. A model compound in the study of dehydration of alcohols using CeO2?as a catalyst. An intermediate to synthesize perylene diimide-based dyes applicable as the colorant of the black matrix.

Technology Process of 3-Methoxy-1-butanol

There total 7 articles about 3-Methoxy-1-butanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

1-acetoxy-3-(chloromethoxy)butane (93185-29-6) → 3-methoxy butanol (2517-43-3)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Ambient temperature;

DOI:10.1021/jo00199a040

Reference yield:

2-Methoxypropene (116-11-0) + carbon monoxide (201230-82-2) → 3-methoxy butanol (2517-43-3)

Guidance literature:

With dicobalt octacarbonyl; triisobutylphosphane; hydrogen; zinc dibromide; In tert-butyl methyl ether; at 150 ℃; for 4h; under 7500.75 - 97509.8 Torr; Solvent; Reagent/catalyst; Temperature; Glovebox; Autoclave;

Reference yield:

3-methoxybutanal (5281-76-5) → 3-methoxy butanol (2517-43-3)

Guidance literature:

With nickel; copper; at 150 - 180 ℃; Hydrogenation;

upstream raw materials:

3-methoxybutanal

1-acetoxy-3-(chloromethoxy)butane

4-methyl-1,3-dioxane

2-Methoxypropene

Downstream raw materials:

p-tert-butylbenzyl alcohol

bis(4-tert-butylbenzyl) ether

hexamethylene imine

4-hydroxysalicylic acid

Refernces

• 1、 Wang, Kaijun,Mao, Qifan,Fei, Weimin,Kong, Lingxin,Cao, Xiaoyan,Gu, Zhenggui. "Synthesis of core-shell Ce-modified mixed metal oxides derived from P123-templated layered double hydroxides". . p. 8375 - 8383. Retrieved 2021.
• 2、 Bailey, William F.,Rivera, Alberto D.. "Acetolysis of Cyclic Acetals: Regioselective Acylative Cleavage of Cyclic Formals". . p. 4958 - 4964. Retrieved 2007/10/02.