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| CAS No.: | 96-35-5 |
|---|---|
| Name: | Methyl glycolate |
| Molecular Structure: | |
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|
|
| Formula: | C3H6O3 |
| Molecular Weight: | 90.0788 |
| Synonyms: | Methyl hydroxyacetate;NSC 27786;Acetic acid, hydroxy-, methyl ester;Glycolic acid, methyl ester (8CI); |
| EINECS: | 202-502-7 |
| Density: | 1.14 g/cm3 |
| Melting Point: | 149-151 °C |
| Boiling Point: | 151.099 °C at 760 mmHg |
| Flash Point: | 67.222 °C |
| Solubility: | Miscible with water. |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 23-24/25 |
| PSA: | 46.53000 |
| LogP: | -0.84830 |
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| Conditions | Yield |
|---|---|
| With C33H32Cl2N2P2Ru; hydrogen; sodium methylate In para-xylene; toluene at 5 - 100℃; under 37503.8 Torr; for 4h; Reagent/catalyst; Glovebox; | 100% |
| Conditions | Yield |
|---|---|
| With (o-PPh2C6H4NH2)[EtNH(CH2)2NHEt]RuCl2; hydrogen; sodium methylate In tetrahydrofuran; para-xylene at 5 - 100℃; under 7500.75 Torr; for 1.5h; Reagent/catalyst; Pressure; Temperature; Glovebox; | 99% |
| With hydrogen In methanol at 219.84℃; under 18751.9 Torr; Temperature; Reagent/catalyst; Autoclave; | 32% |
| With 1,1,1-tris(n-butylthiomethyl)ethane; hydrogen; zinc; Λ(+)-tris(pentane-2,5-dionato)ruthenium In methanol at 100℃; under 60004.8 Torr; for 69h; Kinetics; Product distribution; Further Variations:; Reagents; |
| Conditions | Yield |
|---|---|
| Stage #1: formaldehyd; carbon monoxide With 1,3,5-Trioxan; methanesulfonic acid; phosphoric acid In dichloromethane; benzene at 150℃; under 54005.4 Torr; Stage #2: methanol In dichloromethane; benzene at 190℃; under 9000.9 Torr; for 24h; Temperature; Reagent/catalyst; Solvent; Pressure; | 97.4% |
| Stage #1: formaldehyd; carbon monoxide With 4-n-butyl-4-(3-sulfopropyl)thiomorpholinium 1,1-dioxide trifluoromethane sulfonate In sulfolane at 160℃; under 37503.8 Torr; for 8h; Autoclave; Stage #2: methanol With 4-n-butyl-4-(3-sulfopropyl)thiomorpholinium 1,1-dioxide trifluoromethane sulfonate In sulfolane at 80℃; for 2h; Catalytic behavior; Reagent/catalyst; Solvent; Pressure; Time; Temperature; Concentration; Autoclave; | 92% |
| Stage #1: formaldehyd; carbon monoxide In sulfolane at 200℃; under 60006 Torr; Autoclave; Stage #2: methanol With nitric acid for 4h; Reflux; chemoselective reaction; | 47.7 %Chromat. |
| Conditions | Yield |
|---|---|
| With amberlyst-15 for 16h; | 96% |
| With toluene-4-sulfonic acid for 10h; Reflux; | 87.2% |
| With boric acid at 20℃; for 18h; | 80% |
- 146351-72-6
[(1,1-dimethylethyl)(dimethyl)silyloxy]acetic acid methyl ester
- 96-35-5
glycolic acid methyl ester
| Conditions | Yield |
|---|---|
| With formic acid In water; acetonitrile at 20℃; | 95% |
| Conditions | Yield |
|---|---|
| With hydrogen at 199.84℃; under 22502.3 Torr; Reagent/catalyst; | A 90.6% B n/a |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid for 10h; Reflux; | A n/a B 87.2% |
| Conditions | Yield |
|---|---|
| With C32H32Cl2N2P2Ru; hydrogen; sodium methylate In para-xylene; toluene at 5 - 100℃; under 37503.8 Torr; for 4h; Reagent/catalyst; Glovebox; | A 86% B 13% |
| With hydrogen In methanol at 219.84℃; under 18751.9 Torr; Autoclave; | A 76% B n/a |
| With hydrogen In methanol at 219.84℃; under 18751.9 Torr; Autoclave; | A 31% B n/a |
| Conditions | Yield |
|---|---|
| With zeolite Sn-MFI for 18h; Reagent/catalyst; Time; Sealed tube; Green chemistry; | 83% |
| Conditions | Yield |
|---|---|
| With hydrogen; <(Ph3P)(Ph2P)RuH2-K+*diglyme>2 In toluene at 90℃; under 4650.4 Torr; for 20h; Title compound not separated from byproducts; | A n/a B 70% |
| With (K(1+))2<(Ph3P)3(Ph2P)Ru2H4>(2-)*2C6H14O3; hydrogen In toluene at 90℃; under 4650.4 Torr; for 20h; |
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Specification
Methyl glycolate is an organic compound with the formula C3H6O3, and its systematic name is the same with the product name. With the CAS registry number 96-35-5, it is also named as Methyl hydroxyacetate. It belongs to the product categories of Acids and Derivatives; Alcohols and Derivatives; C2 to C5; Carbonyl Compounds; Esters. Its EINECS number is 202-502-7. In addition, the molecular weight is 90.08. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. It is used in organic synthesis, and it is also used as high-grade cleaning solvent.
Physical properties of Methyl glycolate are: (1)ACD/LogP: -0.902; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.90; (4)ACD/LogD (pH 7.4): -0.90; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.70; (8)ACD/KOC (pH 7.4): 7.70; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.402; (14)Molar Refractivity: 19.257 cm3; (15)Molar Volume: 79.044 cm3; (16)Polarizability: 7.634×10-24cm3; (17)Surface Tension: 35.52 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 67.222 °C; (20)Enthalpy of Vaporization: 45.19 kJ/mol; (21)Boiling Point: 151.099 °C at 760 mmHg; (22)Vapour Pressure: 1.4 mmHg at 25°C.
Preparation: this chemical can be prepared by methanol and hydroxyacetic acid at the ambient temperature. This reaction will need reagent thionyl chloride with the reaction time of 48 hours. The yield is about 60%.
Uses of Methyl glycolate: it can be used to produce triisopropylsilanyloxy-acetic acid methyl ester at the ambient temperature. It will need reagent imidazole and solvent dimethylformamide with the reaction time of 73 hours. The yield is about 72%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CO
(2)Std. InChI: InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3
(3)Std. InChIKey: GSJFXBNYJCXDGI-UHFFFAOYSA-N