Dimethoxymethane (109-87-5)

The Methylal , with cas registry number of 109-87-5, is a clear colorless flammable liquid with a chloroform-like odor and a pungent taste. Its IUPAC name and systematic name are called the same which is dimethoxymethane . The superlist names about this chemical include Dimethoxymethane ; Methane, dimethoxy- ; Methylal ; Methylal [UN1234] [Flammable liquid] ; UN1234 . This compound is soluble in three parts water and miscible with most common organic solvents. It is sensitive to moisture. May form explosive peroxides upon exposure to air. It is incompatible with strong oxidizing agents, strong acids. It should be stored at temp. 2-8°C.

Physical properties about this chemical are: (1) # of Rule of 5 Violations: 0 ; (2) ACD/BCF (pH 5.5): 1 ; (3) ACD/BCF (pH 7.4): 1 ; (4) ACD/KOC (pH 5.5): 17.09 ; (5) ACD/KOC (pH 7.4): 17.09 ; (6) #H bond acceptors: 2 ; (7) #H bond donors: 0 ; (8) #Freely Rotating Bonds: 2 ; (9) Polar Surface Area: 18.46 Å² ; (10) Index of Refraction: 1.348 ; (11) Molar Refractivity: 19.43 cm³ ; (12) Molar Volume: 90.7 cm³ ; (13) Surface Tension: 19.5 dyne/cm ; (14) Density: 0.838 g/cm³ ; (15) Enthalpy of Vaporization: 27.72 kJ/mol ; (16) Boiling Point: 45.2 °C at 760 mmHg ; (17) Vapour Pressure: 365 mmHg at 25°C ; (18) Refractive index: n20/D 1.354.

Preparation of Methylal: there are two simple ways. One is it is prepared by oxidation of methanol . The other way is by the reaction of formaldehyde with methanol.

uses information: this chemical mainly used in organic synthesis. Here is an example, it can be used to prepared 1,3-dithia-5-cycloheptene with but-2c-ene-1,4-dithiol .

This reaction just needs a reagent boron trifluoride . The yield is about 37%.

When you are using this chemical, please be cautious about it as the following:
Moderately toxic by subcutaneous route. Mildly toxic by ingestion and inhalation. Can cause injury to lungs, liver, kidneys, and the heart. A narcotic and anesthetic in high concentrations. A very dangerous fire hazard when exposed to heat, flame, or oxidizers. Moderately explosive when exposed to heat or flame. May ignite or explode when heated with oxygen. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.

You can still convert the following datas into molecular structure:
(1) SMILES:COCOC;
(2) InChI:InChI=1/C3H8O2/c1-4-3-5-2/h3H2,1-2H3;
(3) InChIKey:NKDDWNXOKDWJAK-UHFFFAOYAE

The toxicity data is as follows: