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| CAS No.: | 628-51-3 |
|---|---|
| Name: | METHYLENE DIACETATE, 99 |
| Article Data: | 44 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H8O4 |
| Molecular Weight: | 132.116 |
| Synonyms: | Methanediol,diacetate (6CI,7CI,8CI,9CI);Diacetoxymethane;Methylene diacetate;Methyleneglycol diacetate;NSC 57545; |
| EINECS: | 200-258-5 |
| Density: | 1.119 g/mL at 25 °C(lit.) |
| Melting Point: | ?23 °C(lit.) |
| Boiling Point: | 164.5 °C at 760 mmHg |
| Flash Point: | 72.6 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 52.60000 |
| LogP: | 0.07010 |
- 81281-59-67-Benzylideneaminotheophylline
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- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With solid-phase supported silica chloride at 20℃; for 0.166667h; Neat (no solvent); chemoselective reaction; | 90% |
- 75-09-2
dichloromethane
- 143314-17-4
1-ethyl-3-methylimidazolium acetate
A
- 628-51-3
diacetoxymethane
B
- 65039-09-0
1-ethyl-3-methyl-1H-imidazol-3-ium chloride
| Conditions | Yield |
|---|---|
| at 50℃; for 16h; Inert atmosphere; | A 86% B n/a |
- 143314-17-4
1-ethyl-3-methylimidazolium acetate
- 74-95-3
1,1-dibromomethane
A
- 628-51-3
diacetoxymethane
B
- 65039-08-9
3-ethyl-1-methyl-1H-imidazol-3-ium bromide
| Conditions | Yield |
|---|---|
| at 20℃; for 2h; Inert atmosphere; | A 86% B n/a |
- 50-00-0
formaldehyd
- 503-17-3
dimethylacetylene
A
- 628-51-3
diacetoxymethane
B
- 108-24-7
acetic anhydride
C
- 64-19-7
acetic acid
D
- 431-03-8
dimethylglyoxal
| Conditions | Yield |
|---|---|
| With ozone In dichloromethane at -100℃; | A 7% B 71% C 17% D 5% |
| Conditions | Yield |
|---|---|
| With paraformaldehyde In acetic acid | A n/a B 68% |
- 814-78-8
3-Methyl-3-buten-2-one
A
- 628-51-3
diacetoxymethane
B
- 108-24-7
acetic anhydride
C
- 131250-90-3
meso-3-methyl-3-(3-methyl-1,2,4-trioxolan-3-yl)-1,2,4-trioxolane
D
- 64-19-7
acetic acid
| Conditions | Yield |
|---|---|
| With ozone In polyethylene at -75℃; for 3.5h; | A n/a B n/a C 9% D n/a |
- 186581-53-3, 908094-01-9
diazomethane
- 628-51-3
diacetoxymethane
| Conditions | Yield |
|---|---|
| With lead(IV) acetate; benzene |
- 50-00-0
formaldehyd
- 4082-91-1
bis(acetoxymethyl)ether
A
- 628-51-3
diacetoxymethane
B
- 4082-92-2
bis-acetoxymethoxy-methane
C
- 27969-30-8
1,7-diacetoxy-2,4,6-trioxa-heptane
| Conditions | Yield |
|---|---|
| at 140 - 150℃; |
- Total:38 Page 1 of 1 1
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Specification
The Methylene Diacetate is an organic compound with the formula C5H8O4. The IUPAC name of this chemical is Acetyloxymethyl acetate. With the CAS registry number 628-51-3, it is also named as Diacetoxymethane. Besides, its molecular weight is 132.11462.
Physical properties about Methylene Diacetate are: (1)ACD/LogP: -0.308; (2)ACD/LogD (pH 5.5): -0.31; (3)ACD/LogD (pH 7.4): -0.31; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 16.19; (7)ACD/KOC (pH 7.4): 16.19; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.402; (11)Molar Refractivity: 28.763 cm3; (12)Molar Volume: 118.034 cm3; (13)Polarizability: 11.403 10-24cm3; (14)Surface Tension: 31.9130001068115 dyne/cm; (15)Density: 1.119 g/cm3; (16)Flash Point: 72.624 °C; (17)Enthalpy of Vaporization: 40.102 kJ/mol; (18)Boiling Point: 164.499 °C at 760 mmHg; (19)Vapour Pressure: 1.96099996566772 mmHg at 25°C
Preparation of Methylene Diacetate: This chemical can be prepared by But-2-yne and Formaldehyde. This reaction will need reagent O3 and solvent CH2Cl2. The reaction temperature of -100 °C. The yield is about 7%.
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Uses of Methylene Diacetate: It can be used to produce Acetoxy-bromo-methane. It will need reagents ZnCl2; (CH3)3SiBr. The yield is about 81%.
You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H8O4/c1-4(6)8-3-9-5(2)7/h3H2,1-2H3;
(2)InChIKey=BPGDAMSIGCZZLK-UHFFFAOYSA-N;
(3)SmilesC(OCOC(C)=O)(C)=O;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 178mg/kg (178mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00030, |