-
Name
2-cyclopentylacetic acid
- EINECS
- CAS No. 18322-54-8
- Article Data29
- CAS DataBase
- Density 0.959 g/cm3
- Solubility
- Melting Point
- Formula C9H16O2
- Boiling Point 196.6 °C at 760 mmHg
- Molecular Weight 156.225
- Flash Point 66.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Ethylcyclopentaneacetate;Ethyl cyclopentylacetate;Ethylcyclopentylmethanecarboxylate;NSC 62679;
- PSA 26.30000
- LogP 2.12980
Cyclopentaneaceticacid, ethyl ester Specification
The Cyclopentaneaceticacid, ethyl ester, with the CAS registry number 18322-54-8, is also known as Ethylcyclopentaneacetate and Ethylcyclopentylmethanecarboxylate. This chemical's molecular formula is C9H16O2 and molecular weight is 156.2221. What's more, its IUPAC name is Ethyl 2-cyclopentylacetate.
Physical properties about Cyclopentaneaceticacid, ethyl ester are: (1) ACD/LogP: 2.74; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 2; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 26.3 Å2; (7) Index of Refraction: 1.446; (8) Molar Refractivity: 43.42 cm3; (9) Molar Volume: 162.7 cm3; (10) Polarizability: 17.21×10-24 cm3; (11) Surface Tension: 32.4 dyne/cm; (12) Density: 0.959 g/cm3; (13) Flash Point: 66.6 °C; (14) Enthalpy of Vaporization: 43.28 kJ/mol; (15) Boiling Point: 196.6 °C at 760 mmHg; (16) Vapour Pressure: 0.396 mmHg at 25 °C.
Preparation of Cyclopentaneaceticacid, ethyl ester: this chemical is prepared by Diazoacetic acid ethyl ester and Cyclopentane. This reaction needs reagents CuI, hydrotris(3-mesityl)pyrazolylborate thallium salt and solvent CH2Cl2. The yield is 50 %. And the reaction equation is as followed:
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC1CCCC1
(2) InChI: InChI=1/C9H16O2/c1-2-11-9(10)7-8-5-3-4-6-8/h8H,2-7H2,1H3
(3) InChIKey: DBSADESEDBCPFO-UHFFFAOYAA
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