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| CAS No.: | 70657-70-4 |
|---|---|
| Name: | 2-methoxypropyl acetate |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H12O3 |
| Molecular Weight: | 132.159 |
| Synonyms: | 1-Propanol, 2-methoxy-, acetate;2-Methoxypropyl-1-acetate;2-MePA; |
| EINECS: | 274-724-2 |
| Density: | 0.959 g/cm3 |
| Boiling Point: | 154.8 °C at 760 mmHg |
| Flash Point: | 47.9 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 61-10-37 |
| Safety: | 53-45 |
| Transport Information: | UN 1993 |
| PSA: | 35.53000 |
| LogP: | 0.58440 |
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| Conditions | Yield |
|---|---|
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| Conditions | Yield |
|---|---|
| With phosphoric acid at 80 - 150℃; |
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| Conditions | Yield |
|---|---|
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Standards and Recommendations
Specification
The CAS registry number of 2-Methoxy-1-propyl acetate is 70657-70-4. With the EINECS registry number 274-724-2, its IUPAC name is 2-methoxypropyl acetate. In addition, the molecular formula is C6H12O3 and the molecular weight is 132.16. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.21; (7)ACD/KOC (pH 7.4): 33.21; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.398; (12)Molar Refractivity: 33.32 cm3; (13)Molar Volume: 137.7 cm3; (14)Polarizability: 13.21 ×10-24cm3; (15)Surface Tension: 26.5 dyne/cm; (16)Density: 0.959 g/cm3; (17)Flash Point: 47.9 °C; (18)Enthalpy of Vaporization: 39.15 kJ/mol; (19)Boiling Point: 154.8 °C at 760 mmHg; (20)Vapour Pressure: 3.13 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. And it is irritating to the respiratory system. In addition, it may cause harm to the unborn child. You should avoid exposure-obtain special instruction before use. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(OC)C)C
(2)Std. InChI: InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3
(3)Std. InChIKey: BTZVKSVLFLRBRE-UHFFFAOYSA-N