3-Methoxy-3-methylbutan-1-ol

Base Information

• Chemical Name: 3-Methoxy-3-methylbutan-1-ol
• CAS No.: 56539-66-3
• Deprecated CAS: 77908-12-4,1895087-38-3
• Molecular Formula: C6H14O2
• Molecular Weight: 118.176
• Hs Code.: 29094990
• European Community (EC) Number: 260-252-4
• UNII: 366754K2K1
• DSSTox Substance ID: DTXSID8044389
• Nikkaji Number: J38.165I
• Wikidata: Q27256531
• ChEMBL ID: CHEMBL3188023
• Mol file: 56539-66-3.mol

Synonyms:3-Methoxy-3-methylbutan-1-ol;56539-66-3;3-Methoxy-3-methyl-1-butanol;3-Methyl-3-methoxybutanol;3-Methoxy-3-methylbutanol;1-Butanol, 3-methoxy-3-methyl-;METHOXYMETHYLBUTANOL;Solfit S 110;3-methyl-3-methoxy-1-butanol;3-Methxoy-3-methylbutan-1-ol;DTXSID8044389;UNII-366754K2K1;3-methyl-3-(methyloxy)butan-1-ol;3-Methyl-3-methoxy-1-hydroxybutane;EINECS 260-252-4;366754K2K1;EC 260-252-4;Solfit;77908-12-4;SCHEMBL64765;Butanol, 3-methoxy-3-methyl-;3-methoxy-3-methylbutane-1-ol;CHEMBL3188023;DTXCID6024389;1-butanol, 3-metoxi-3-metil-;MFKRHJVUCZRDTF-UHFFFAOYSA-;3-Methoxy-3-methyl-1-butanol #;METHOXYMETHYLBUTANOL [INCI];Tox21_302115;3-mercaptopropanoic acid methyl ester;3-Methoxy-3-methyl-1-butyl alcohol;MFCD00044771;AKOS015851586;NCGC00255903-01;3-Methoxy-3-methyl-1-butanol, >=98%;CAS-56539-66-3;CS-0132453;FT-0615972;M0695;E81608;EN300-131950;Q-200383;Q27256531;F0001-1482

Chemical Property of 3-Methoxy-3-methylbutan-1-ol

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 0.675mmHg at 25°C
• Melting Point: -50 °C
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 164.2 °C at 760 mmHg
• PKA: 15.19±0.10(Predicted)
• Flash Point: 51.6 °C
• PSA: 29.46000
• Density: 0.898 g/cm³
• LogP: 0.79380
• Water Solubility.: Soluble in water.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 59.5

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 23-24/25-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(CCO)OC
• Uses: 3-Methoxy-3-methyl-1-butanol is a solvent that compares favorably with its isomer ethylene glycol monobutyl ether. It is employed as raw material for the production of industrial detergents. It is also used as solvent for paints, inks, and fragrances. 3-Methoxy-3-methyl-1-butanol may be employed as raw material for the production of industrial detergents.

Technology Process of 3-Methoxy-3-methylbutan-1-ol

There total 5 articles about 3-Methoxy-3-methylbutan-1-ol 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: 90.0%

4,4-dimethyl-1,3-dioxane (766-15-4) → solfit (56539-66-3)

Guidance literature:

With diisobutylaluminium hydride; In benzene; for 2h; Heating;

Reference yield: 83.9%

→ solfit (56539-66-3)

Guidance literature:

With β-zeolite; In water; at 50 ℃; for 30h;

Reference yield: 51.0%

2-methyl-1-buten-4-ol (763-32-6) + methanol (67-56-1) → solfit (56539-66-3)

Guidance literature:

With sodium iodide; at 40 - 50 ℃; Green chemistry;

DOI:10.1039/c4ra17321j

upstream raw materials:

4,4-dimethyl-1,3-dioxane

methanol

2-methyl-1-buten-4-ol

Downstream raw materials:

(E)-4-[4-(4-Trifluoromethyl-phenoxy)-phenoxy]-pent-2-enoic acid 3-methoxy-3-methyl-butyl ester

N-[5-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]-N'-(5-cyano-2-pyrazinyl)urea

N-{(3E)-5-tert-butyl-1-methyl-2-[(2R)-tetrahydrofuran-2-ylmethyl]-1,2-dihydro-3H-pyrazol-3-ylidene}-2-(3-methoxy-3-methylbutoxy)-5-(trifluoromethyl)benzamide

3-methoxy-3-methylbutan-1-amine