4-Methyl-1,3-dioxane

Base Information

• Chemical Name: 4-Methyl-1,3-dioxane
• CAS No.: 1120-97-4
• Molecular Formula: C5H10O2
• Molecular Weight: 102.133
• Hs Code.: 29329990
• European Community (EC) Number: 214-323-1
• NSC Number: 292
• UNII: XCM6KK2C4N
• DSSTox Substance ID: DTXSID90871827
• Nikkaji Number: J43.558I
• Mol file: 1120-97-4.mol

Synonyms:4-Methyl-1,3-dioxane;1120-97-4;4-Methyl-m-dioxane;1,3-Dioxane, 4-methyl-;m-Dioxane, 4-methyl-;4-METHYLDIOXANE;1,3-Butanediol formal;NSC 292;EINECS 214-323-1;XCM6KK2C4N;BRN 0102735;NSC-292;5-19-01-00054 (Beilstein Handbook Reference);NSC292;UNII-XCM6KK2C4N;4-methyl-[1,3]dioxane;1,3-Dioxane,4-methyl-;SCHEMBL339398;DTXSID90871827;MFCD00006569;AKOS015842743;LS-62355;CS-0181838;FT-0606594;M0209;D91290

Chemical Property of 4-Methyl-1,3-dioxane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 24mmHg at 25°C
• Melting Point: -45--44 °C
• Refractive Index: 1.414-1.416
• Boiling Point: 114 °C at 760 mmHg
• Flash Point: 22.2 °C
• PSA: 18.46000
• Density: 0.941 g/cm³
• LogP: 0.76930
• Storage Temp.: Flammables area
• Solubility.: Chloroform (Soluble), DMSO (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 54

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methyl-1,3-dioxane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-10
• Safety Statements: 37/39-26-16-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCOCO1
• Uses: 4-Methyl-1,3-dioxane is used in preparation of high-purity 1,3-butylene glycol product for moisturizer or cosmetics.

Technology Process of 4-Methyl-1,3-dioxane

There total 12 articles about 4-Methyl-1,3-dioxane 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: 98.0%

→ 4-methyl-1,3-dioxane (1120-97-4)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In 1,4-dioxane; at 40 ℃; for 0.5h; Sealed tube; Sonication;

Reference yield: 94.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1.3-butanediol (18826-95-4,107-88-0) → 4-methyl-1,3-dioxane (1120-97-4)

Guidance literature:

With sulfur dioxide;

Reference yield: 60.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 4-methyl-1,3-dioxane (1120-97-4) + Tetrahydro-pyran-4-ol (2081-44-9) + 1.3-butanediol (18826-95-4,107-88-0)

Guidance literature:

With cerium(IV) oxide; Reagent/catalyst;

DOI:10.1021/ja310498c

upstream raw materials:

formaldehyd

propene

1.3-butanediol

sulfuric acid

Downstream raw materials:

homoalylic alcohol

butan-1-ol

Hexamethyldisiloxane

3-Iodo-1-iodomethoxy-butane

Refernces

• 1、 Leutner. "-". . p. 222,231. Retrieved 1935.
• 2、 -. "Biomass alcoholysis method for petroleum-based plastic POM". Paragraph 0030-0051. . Retrieved 2021/05/01.
• 3、 Beydoun, Kassem,Klankermayer, Jürgen. "Efficient Plastic Waste Recycling to Value-Added Products by Integrated Biomass Processing". . p. 488 - 492. Retrieved 2020/01/24.