CAS No.6004-60-0,1-CYCLOPENTYL-ETHANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6004-60-0
Name:	1-CYCLOPENTYL-ETHANONE
Article Data:	18

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