3-Hydroxy-1-methylpropyl acetate

Base Information

• Chemical Name: 3-Hydroxy-1-methylpropyl acetate
• CAS No.: 75355-65-6
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• European Community (EC) Number: 278-191-7
• DSSTox Substance ID: DTXSID20996810
• Nikkaji Number: J307.560E
• Mol file: 75355-65-6.mol

Synonyms:3-Hydroxy-1-methylpropyl acetate;75355-65-6;EINECS 278-191-7;4-hydroxybutan-2-yl acetate;1,3-Butanediol 3-acetate;SCHEMBL5691082;DTXSID20996810

Chemical Property of 3-Hydroxy-1-methylpropyl acetate

Chemical Property:

• Vapor Pressure: 2.25mmHg at 25°C
• Refractive Index: 1.427
• Boiling Point: 142.6 °C at 760 mmHg
• PKA: 14.84±0.10(Predicted)
• Flash Point: 41.7 °C
• PSA: 46.53000
• Density: 1.024 g/cm³
• LogP: 0.32040
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 90.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCO)OC(=O)C

Technology Process of 3-Hydroxy-1-methylpropyl acetate

There total 9 articles about 3-Hydroxy-1-methylpropyl acetate 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: 60.0%

1,3-diacetoxybutane (1117-31-3) → 1.3-butanediol (18826-95-4,107-88-0) + 3-hydroxy-1-methylpropyl acetate (75355-65-6)

Guidance literature:

1,3-disubstituted tetraalkyldistannoxane (X = Y = Cl); In methanol; chloroform; for 120h; Ambient temperature;

DOI:10.1016/S0040-4020(01)89888-4

Reference yield: 23.0%

1.3-butanediol (18826-95-4,107-88-0) + acetic anhydride (108-24-7) → 1,3-diacetoxybutane (1117-31-3) + 3-hydroxy-1-methylpropyl acetate (75355-65-6)

Guidance literature:

CoCl₂; In acetonitrile; at 80 ℃; for 2h;

DOI:10.1039/c39870000114

Reference yield:

1.3-butanediol (18826-95-4,107-88-0) + acetic anhydride (108-24-7) → butane-1,3-diol 1-acetate (1851-86-1) + 1,3-diacetoxybutane (1117-31-3) + 3-hydroxy-1-methylpropyl acetate (75355-65-6)

Guidance literature:

With sodium hydride;

DOI:10.1021/jo00122a075

upstream raw materials:

2,4-dimethyl-[1,3]dioxane

1,3-diacetoxybutane

1.3-butanediol

acetic anhydride

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