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CAS No.: | 10472-24-9 |
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Name: | Methyl 2-cyclopentanonecarboxylate |
Article Data: | 42 |
Molecular Structure: | |
Formula: | C7H10O3 |
Molecular Weight: | 142.155 |
Synonyms: | 2-(Methoxycarbonyl)cyclopentanone;2-Carbomethoxycyclopentanone;2-Cyclopentanonecarboxylic acid methyl ester;2-Oxocyclopentanecarboxylicacid methyl ester;Cyclopentenone-2-carboxylic acid methyl ester;Methyl2-cyclopentanone-1-carboxylate;Methyl 2-oxo-1-cyclopentanecarboxylate;Methyl2-oxocyclopentacarboxylate;Methyl 2-oxocyclopentanecarboxylate;Methyl cyclopentanone-2-carboxylate; |
EINECS: | 233-962-7 |
Density: | 1.157 g/cm3 |
Melting Point: | 123-125 °C |
Boiling Point: | 209.7 °C at 760 mmHg |
Flash Point: | 84 °C |
Appearance: | clear colorless to slight yellowish liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 23-24/25-26-36 |
PSA: | 43.37000 |
LogP: | 0.52860 |
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This chemical is called Cyclopentanecarboxylic acid, 2-oxo-, methyl ester, and its CAS registry number is 10472-24-9. With the molecular formula of C7H10O3, its molecular weight is 142.15. Additionally, its product categories are Building Blocks; Organic Acids; Miscellaneous. It should be sealed in the cool and dry place.
Other characteristics of the Cyclopentanecarboxylic acid, 2-oxo-, methyl ester can be summarised as followings: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.27; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.91; (8)ACD/KOC (pH 7.4): 16.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 34.13 cm3; (15)Molar Volume: 122.8 cm3; (16)Polarizability: 13.53×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.157 g/cm3; (19)Flash Point: 84 °C; (20)Enthalpy of Vaporization: 44.6 kJ/mol; (21)Boiling Point: 209.7 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.
Production method of this chemical: The Cyclopentanecarboxylic acid, 2-oxo-, methyl ester could be obtained by the reactant of hexanedioic acid dimethyl ester. This reaction needs the reagent of sodium, toluene.
Uses of this chemical: The Cyclopentanecarboxylic acid, 2-oxo-, methyl ester could react with bromoacetic acid methyl ester, and obtain the (1-methoxycarbonyl-2-oxo-cyclopentyl)-acetic acid methyl ester. This reaction needs the reagent of alcoholic sodium ethylate.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)C1C(=O)CCC1
2.InChI: InChI=1/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3
3.InChIKey: PZBBESSUKAHBHD-UHFFFAOYAB