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CAS No.: | 120-92-3 |
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Name: | Cyclopentanone |
Article Data: | 679 |
Molecular Structure: | |
Formula: | C5H8O |
Molecular Weight: | 84.1179 |
Synonyms: | Adipicketone;Adipin keton;Dumasin;Ketocyclopentane;Ketopentamethylene;NSC 4122; |
EINECS: | 204-435-9 |
Density: | 0.987 g/cm3 |
Melting Point: | -51 °C |
Boiling Point: | 130.457 °C at 760 mmHg |
Flash Point: | 30.556 °C |
Solubility: | practically insoluble in water |
Appearance: | colourless liquid |
Hazard Symbols: | Xi |
Risk Codes: | 10-36/38 |
Safety: | 23 |
Transport Information: | UN 2245 3/PG 3 |
PSA: | 17.07000 |
LogP: | 1.12950 |
Conditions | Yield |
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With water; nickel dibromide; dibenzoyl peroxide In N,N-dimethyl acetamide at 60℃; for 3h; | 100% |
With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H2O) In hexane for 20h; Solvent; Reflux; | 100% |
With allyl methyl carbonate; dihydridotetrakis(triphenylphosphine)ruthenium In toluene at 100℃; for 13h; | 99% |
Conditions | Yield |
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With oxygen; palladium(II) sulfate; PdSO4-H3PMo6W6O40 In cyclohexane; water at 30℃; for 6h; | 100% |
With oxygen; H3PMo6W6O40 In cyclohexane; water at 29.9℃; under 760 Torr; for 6h; | 100% |
With palladium(II) sulfate; oxygen; H3PMo6W6O40 In cyclohexane; water at 29.9℃; under 760 Torr; for 6h; Product distribution; Rate constant; other time, other Pd(II) salt, other concentration of catalyst; | 100% |
Conditions | Yield |
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With limonene.; palladium on activated charcoal for 0.5h; Heating; | 100% |
With hydrogen; SC-1 Ni2B In methanol at 25℃; under 760 Torr; for 24h; | 100% |
With diphenylsilane; zinc(II) chloride; tetrakis(triphenylphosphine) palladium(0) In chloroform for 0.5h; Ambient temperature; | 99% |
Conditions | Yield |
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With bis(1-CH2Ph-3,5,7-3N-1-N(1+)tricyclo[3.3.1.13,7]decaneS2O8 In acetonitrile for 0.0583333h; Oxidation; Heating; | 100% |
With potassium permanganate In water; acetonitrile at 25℃; for 1h; | 96% |
With dihydrogen peroxide; tripropylammonium fluorochromate (VI) In acetone at 0 - 10℃; for 2.5h; | 96% |
cyclopentanone
Conditions | Yield |
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With hydrogenchloride for 0.0416667h; Product distribution; Ambient temperature; pH = 4-6, regeneration of aldehyde; | 100% |
Conditions | Yield |
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With oxygen; kieselguhr; copper(l) chloride In hexane for 2.5h; Oxidation; Heating; | 99% |
1,1-Bis(phenylthio)cyclopentane
cyclopentanone
Conditions | Yield |
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With 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 20 - 25℃; for 2h; Irradiation; | 98% |
Conditions | Yield |
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With hydrogen In water at 160℃; under 30003 Torr; for 7h; Automated synthesizer; | 98% |
With hydrogen In water at 160℃; under 30003 Torr; for 2.5h; Reagent/catalyst; Temperature; Pressure; Autoclave; | 96% |
With hydrogen In water at 150℃; under 30003 Torr; for 6h; Reagent/catalyst; Autoclave; | 95% |
Conditions | Yield |
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With hydrogenchloride; FeH6Mo6O24(3-)*3H3N*3H(1+)*7H2O; tetrabutylammomium bromide; dihydrogen peroxide In 1,4-dioxane; water at 85℃; for 24h; | 96% |
With [Fe4III(μ-O)2(μ-acetate)6(2,2'-bipyridine)2(H2O)2](NO3-)(OH-); dihydrogen peroxide; acetic acid In water; acetonitrile at 32℃; for 3h; Catalytic behavior; | 60% |
With dihydrogen peroxide; vanadium phosphorus oxide In acetonitrile at 50℃; for 20h; | 48% |
Conditions | Yield |
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With sodium perborate at 70℃; for 3h; Ionic liquid; | 95% |
With bis-trimethylsilanyl peroxide; sodium hydride In tetrahydrofuran at 20℃; for 24h; Hydrolysis; | 65% |
The Cyclopentanone, with the CAS registry number 120-92-3 and EINECS registry number 204-435-9, is a clear colorless liquid with a petroleum-like odor. It belongs to the following product categories: Pharmaceutical Intermediates; Organics; Alpha Sort; C; Volatiles/ Semivolatiles; C3 to C6; Carbonyl Compounds; Ketones; Alphabetical Listings; C-D; Flavors and Fragrances. And the molecular formula of the chemical is C5H8O. What's more, it is commonly used as a thinner for various epoxies used in MEMS fabrication, such as SU-8.
The physical properties of Cyclopentanone are as followings: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.293; (4)ACD/LogD (pH 7.4): 0.293; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.405; (8)ACD/KOC (pH 7.4): 34.405; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 23.189 cm3; (15)Molar Volume: 85.214 cm3; (16)Polarizability: 9.193×10-24cm3; (17)Surface Tension: 34.01 dyne/cm; (18)Density: 0.987 g/cm3; (19)Flash Point: 30.556 °C; (20)Enthalpy of Vaporization: 36.35 kJ/mol; (21)Boiling Point: 130.457 °C at 760 mmHg; (22)Vapour Pressure: 9.702 mmHg at 25°C.
Preparation of Cyclopentanone: This chemical can be prepared by adipate in the presence of baryta with heating.
Uses of Cyclopentanone: It can react with pyrrolidine to produce 1-cyclopent-1-enyl-pyrrolidine. This reaction will need reagent methyl iodide and bis(trimethylsilyl)acetamide, and the menstruum petroleum ether. The reaction time is 1.5 hours with temperature of 40-50°C, and the yield is about 82%.
You should be cautious while dealing with this chemical. It is a kind of flammble chemical which irritates to eyes and skin. Therefore, you had better not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1)SMILES: C1CCC(=O)C1
(2)InChI: InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-4H2
(3)InChIKey: BGTOWKSIORTVQH-UHFFFAOYAP
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
frog | LDLo | subcutaneous | 3gm/kg (3000mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) SKIN AND APPENDAGES (SKIN): SWEATING: OTHER AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903. |
mammal (species unspecified) | LD50 | oral | 2gm/kg (2000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
mouse | LD50 | intraperitoneal | 1950mg/kg (1950mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: COMA | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 254, Pg. 2245, 1962. |
mouse | LDLo | subcutaneous | 2600mg/kg (2600mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: COMA AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903. |
rat | LC50 | inhalation | 19500mg/m3 (19500mg/m3) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA LIVER: OTHER CHANGES | National Technical Information Service. Vol. OTS0572861, |