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Cas Database |
| Name |
Methyl 1,3-benzodioxole-4-carboxylate |
EINECS | N/A |
| CAS No. | 33842-16-9 | Density | 1.3g/cm3 |
| PSA | 44.76000 | LogP | 1.20190 |
| Solubility | N/A | Melting Point |
55-56 °C |
| Formula | C9H8 O4 | Boiling Point | 280.1°C at 760 mmHg |
| Molecular Weight | 180.16 | Flash Point | 122.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzoicacid, 2,3-(methylenedioxy)-, methyl ester (6CI,8CI);1,3-Benzodioxol-4-carboxylic acid methyl ester; Methyl2,3-methylenedioxybenzoate; NSC 146459 |
Article Data | 16 |
Methyl 1,3-benzodioxole-4-carboxylate Chemical Properties
Molecular Structure of Methyl 1,3-benzodioxole-4-carboxylate (CAS No.33842-16-9):
Molecular Formula: C9H8O4
Molecular Weight: 180.1574
CAS No: 33842-16-9
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 44.76 Å2
Index of Refraction: 1.55
Molar Refractivity: 44.18 cm3
Molar Volume: 138.5 cm3
Surface Tension: 49.5 dyne/cm
Density: 1.3 g/cm3
Flash Point: 122.2 °C
Enthalpy of Vaporization: 51.88 kJ/mol
Boiling Point: 280.1 °C at 760 mmHg
Vapour Pressure: 0.00387 mmHg at 25°C
IUPAC Name: Methyl 1,3-benzodioxole-4-carboxylate
InChI: InChI=1/C9H8O4/c1-11-9(10)6-3-2-4-7-8(6)13-5-12-7/h2-4H,5H2,1H3
InChIKey: KRPFJCUXHWEVMS-UHFFFAOYAW
Std. InChI: InChI=1S/C9H8O4/c1-11-9(10)6-3-2-4-7-8(6)13-5-12-7/h2-4H,5H2,1H3
Std. InChIKey: KRPFJCUXHWEVMS-UHFFFAOYSA-N
Product Categories: Acids and Derivatives;Heterocycles
Methyl 1,3-benzodioxole-4-carboxylate Specification
Methyl 1,3-benzodioxole-4-carboxylate (CAS No.33842-16-9), its synonym is 1,3-Benzodioxole-4-carboxylic acid, methyl ester .
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