1,3-Dioxolan-2-one, 4-(hydroxymethyl)-

Base Information

• Chemical Name: 1,3-Dioxolan-2-one, 4-(hydroxymethyl)-
• CAS No.: 931-40-8
• Deprecated CAS: 63121-19-7
• Molecular Formula: C4H6O4
• Molecular Weight: 118.089
• Hs Code.: 29329990
• European Community (EC) Number: 213-235-0
• NSC Number: 60535
• UNII: C15K4UUJ1E
• DSSTox Substance ID: DTXSID90862477
• Nikkaji Number: J38.319H
• Wikidata: Q5748964
• Mol file: 931-40-8.mol

Synonyms:4-hydroxymethyl-1,3-dioxolan-2-one

Chemical Property of 1,3-Dioxolan-2-one, 4-(hydroxymethyl)-

Chemical Property:

• Vapor Pressure: 2E-06mmHg at 25°C
• Refractive Index: n20/D 1.469(lit.)
• Boiling Point: 353.9 °C at 760 mmHg
• PKA: 13.71±0.10(Predicted)
• Flash Point: 165.9 °C
• PSA: 55.76000
• Density: 1.375 g/cm³
• LogP: -0.48590
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in water
• Water Solubility.: 1000g/L at 24℃
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 118.02660867
• Heavy Atom Count: 8
• Complexity: 100

Purity/Quality:

99%+ ^*data from raw suppliers

4-(Hydroxymethyl)-1,3-dioxolan-2-one ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(OC(=O)O1)CO
• Uses: 4-(Hydroxymethyl)-1,3-dioxolan-2-one is used in method of finishing a metallic surface.

Technology Process of 1,3-Dioxolan-2-one, 4-(hydroxymethyl)-

There total 77 articles about 1,3-Dioxolan-2-one, 4-(hydroxymethyl)- 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: 100.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + carbonic acid dimethyl ester (616-38-6) → 4-hydroxymethyl-1,3-dioxolan-2-one (931-40-8)

Guidance literature:

Candida antarctica lipase B; In tert-butyl alcohol; at 70 ℃; for 10 - 24h; Enzyme kinetics; Enzymatic reaction; Molecular sieve;

Reference yield: 99.5%

4-(((trimethylsilyl)oxy)methyl)-1,3-dioxolan-2-one (864079-61-8) → 4-hydroxymethyl-1,3-dioxolan-2-one (931-40-8)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 2h;

Reference yield: 99.01%

4-(((tert-butyldimethylsilyl)oxy)methyl)-1,3-dioxolan-2-one → 4-hydroxymethyl-1,3-dioxolan-2-one (931-40-8)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 2h;

upstream raw materials:

[1,3]-dioxolan-2-one

glycerol

1-bromo-3-chloro-propan-2-ol

carbon dioxide

Downstream raw materials:

oxiranyl-methanol

(2-oxo-1,3-dioxolane-4-yl)methyl methacrylate

(2-oxo-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate

glycerol