-
Name
ETHYL A-ACETYLCYCLOPENTANEACETATE
- EINECS
- CAS No. 1540-32-5
- Density 1.038 g/cm3
- Solubility
- Melting Point
- Formula C11H18O3
- Boiling Point 266.7 °C at 760 mmHg
- Molecular Weight 198.262
- Flash Point 111.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Ethyl2-cyclopentyl-3-methyl-3-oxopropionate;Ethyl 2-cyclopentylacetoacetate;
- PSA 43.37000
- LogP 1.94490
Cyclopentaneaceticacid, a-acetyl-, ethyl ester Specification
The Cyclopentaneaceticacid, a-acetyl-, ethyl ester, with the CAS registry number 1540-32-5, is also known as Ethyl2-cyclopentyl-3-methyl-3-oxopropionate and Ethyl 2-cyclopentylacetoacetate. This chemical's molecular formula is C11H18O3 and molecular weight is 198.2588. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-cyclopentyl-3-oxobutanoate.
Physical properties about Cyclopentaneaceticacid, a-acetyl-, ethyl ester are: (1) ACD/LogP: 2.56; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.56; (4) ACD/LogD (pH 7.4): 2.56; (5) ACD/BCF (pH 5.5): 51.84; (6) ACD/BCF (pH 7.4): 51.84; (7) ACD/KOC (pH 5.5): 587.46; (8) ACD/KOC (pH 7.4): 587.42; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 43.37 Å2; (13) Index of Refraction: 1.463; (14) Molar Refractivity: 52.62 cm3; (15) Molar Volume: 190.9 cm3; (16) Polarizability: 20.86×10-24 cm3; (17) Surface Tension: 35.9 dyne/cm; (18) Density: 1.038 g/cm3; (19) Flash Point: 111.2 °C; (20) Enthalpy of Vaporization: 50.47 kJ/mol; (21) Boiling Point: 266.7 °C at 760 mmHg; (22) Vapour Pressure: 0.0085 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(C(C)=O)C1CCCC1
(2) InChI: InChI=1/C11H18O3/c1-3-14-11(13)10(8(2)12)9-6-4-5-7-9/h9-10H,3-7H2,1-2H3
(3) InChIKey: CRISDWSRLFVDOU-UHFFFAOYAG
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