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| CAS No.: | 20913-25-1 |
|---|---|
| Name: | ETHYL 2-METHYLCYCLOPROPANE-1-CARBOXYLATE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C7H12O2 |
| Molecular Weight: | 128.171 |
| Synonyms: | Ethyl 2-methylcyclopropanecarboxylate; |
| EINECS: | 244-113-5 |
| Density: | 1.006 g/cm3 |
| Melting Point: | 147 °C |
| Boiling Point: | 151.5 °C at 760 mmHg |
| Flash Point: | 42.2 °C |
| Risk Codes: | 10 |
| Safety: | 23-24/25 |
| PSA: | 26.30000 |
| LogP: | 1.20550 |
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Specification
The Ethyl 2-methylcyclopropane-1-carboxylate, with CAS registry number 20913-25-1, has the systematic name of ethyl 2-methylcyclopropanecarboxylate. And the chemical formula of this chemical is C7H12O2. When use this chemical, you can not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). In addition you should avoid contact with skin and eyes.
Physical properties of Ethyl 2-methylcyclopropane-1-carboxylate: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.14; (6)ACD/BCF (pH 7.4): 9.14; (7)ACD/KOC (pH 5.5): 169.64; (8)ACD/KOC (pH 7.4): 169.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 34.12 cm3; (15)Molar Volume: 127.3 cm3; (16)Polarizability: 13.52×10-24cm3; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 1.006 g/cm3; (19)Flash Point: 42.2 °C; (20)Enthalpy of Vaporization: 38.84 kJ/mol; (21)Boiling Point: 151.5 °C at 760 mmHg; (22)Vapour Pressure: 3.65 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1CC1C
(2)Std. InChI: InChI=1S/C7H12O2/c1-3-9-7(8)6-4-5(6)2/h5-6H,3-4H2,1-2H3
(3)Std. InChIKey: JWYSLVLBKXDZCW-UHFFFAOYSA-N