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Cyclopentanone

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Cyclopentanone

EINECS 204-435-9
CAS No. 120-92-3 Density 0.987 g/cm3
Solubility practically insoluble in water Melting Point -51 °C
Formula C5H8O Boiling Point 130.457 °C at 760 mmHg
Molecular Weight 84.13 Flash Point 30.556 °C
Transport Information UN 2245 3/PG 3 Appearance colourless liquid
Safety 23 Risk Codes 10-36/38
Molecular Structure Molecular Structure of 120-92-3 (Cyclopentanone) Hazard Symbols IrritantXi
Synonyms

Adipicketone;Adipin keton;Dumasin;Ketocyclopentane;Ketopentamethylene;NSC 4122;

 

Cyclopentanone Specification

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,

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