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| CAS No.: | 6004-60-0 |
|---|---|
| Name: | 1-CYCLOPENTYL-ETHANONE |
| Molecular Structure: | |
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| Formula: | C7H12O |
| Molecular Weight: | 112.172 |
| Synonyms: | Ketone,cyclopentyl methyl (6CI,7CI,8CI);1-Acetylcyclopentane;1-Cyclopentylethanone;Acetylcyclopentane;Cyclopentyl methyl ketone;Cyclopentylethanone;Methylcyclopentyl ketone;NSC 49209; |
| EINECS: | 1312995-182-4 |
| Density: | 0.935 g/cm3 |
| Boiling Point: | 160 °C at 760 mmHg |
| Flash Point: | 47 °C |
| Solubility: | Miscible with water. |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 17.07000 |
| LogP: | 1.76560 |
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Specification
The IUPAC name of Ethanone,1-cyclopentyl- is 1-cyclopentylethanone. With the CAS registry number 6004-60-0, it is also named as Acetyl cyclopentane. In addition, its molecular formula is C7H12O and molecular weight is 112.17.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.12; (6)ACD/BCF (pH 7.4): 6.12; (7)ACD/KOC (pH 5.5): 127.31; (8)ACD/KOC (pH 7.4): 127.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 32.26 cm3; (15)Molar Volume: 119.9 cm3; (16)Polarizability: 12.79×10-24cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.935 g/cm3; (19)Flash Point: 47 °C; (20)Enthalpy of Vaporization: 39.66 kJ/mol; (21)Boiling Point: 160 °C at 760 mmHg; (22)Vapour Pressure: 2.44 mmHg at 25 °C.
Preparation of Ethanone,1-cyclopentyl-: this chemical can be prepared by 1-Cyclopent-1-enyl-ethanone.
This reaction needs H2. The yield is 97 %.
Uses of Ethanone,1-cyclopentyl-: it can react with Benzo[1,2,5]oxadiazole 1-oxide to get 3-Methylspiro(chinoxalin-2(3H),1'-cyclopentan)-3-amin-1,4-dioxid.
This reaction needs NH3 and Methanol at temperature of 30-40 °C for 6 hours. The yield is 78 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(C)C1CCCC1
(2)InChI: InChI=1/C7H12O/c1-6(8)7-4-2-3-5-7/h7H,2-5H2,1H3
(3)InChIKey: LKENTYLPIUIMFG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H12O/c1-6(8)7-4-2-3-5-7/h7H,2-5H2,1H3
(5)Std. InChIKey: LKENTYLPIUIMFG-UHFFFAOYSA-N