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2-Acetylcyclopentanone

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Name

2-Acetylcyclopentanone

EINECS 216-797-5
CAS No. 1670-46-8 Density 1.083 g/cm3
PSA 34.14000 LogP 0.94460
Solubility N/A Melting Point 60-70℃
Formula C7H10O2 Boiling Point 197.181 °C at 760 mmHg
Molecular Weight 126.155 Flash Point 72.778 °C
Transport Information N/A Appearance clear light yellow to brown liquid
Safety 36 Risk Codes 22
Molecular Structure Molecular Structure of 1670-46-8 (2-ACETYLCYCLOPENTANONE) Hazard Symbols HarmfulXn
Synonyms

2-Acetyl-1-cyclopentanone;2-Acetylcyclopentanone;NSC 141181;a-Acetylcyclopentanone;

Article Data 26

2-Acetylcyclopentanone Specification

This chemical is called Cyclopentanone, 2-acetyl-, and its CAS registry number is 1670-46-8. With the molecular formula of C7H10O2, its product categories are Ketone; Environmentally-friendly Oxidation; Ligands (Environmentally-friendly Oxidation); Synthetic Organic Chemistry; C7 to C8; Carbonyl Compounds. Additionally, this chemical should be sealed at the temperature of 2-8 °C, away from the oxidant.

Other characteristics of the Cyclopentanone, 2-acetyl- can be summarised as followings: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -1.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 33.45 cm3; (15)Molar Volume: 106.2 cm3; (16)Polarizability: 13.26×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.187 g/cm3; (19)Flash Point: 97.8 °C; (20)Enthalpy of Vaporization: 55.34 kJ/mol; (21)Boiling Point: 239.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00713 mmHg at 25°C.

Production method of this chemical: The Cyclopentanone, 2-acetyl- could be obtained by the reactants of acetic acid anhydride and cyclopentanone. This reaction needs the reagent of BF3.

Uses of this chemical: The Cyclopentanone, 2-acetyl- could react with iodomethane, and obtain the 2-acetyl-2-methyl-cyclopentanone. This reaction needs the reagent of potassium tert-butylate.

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 840uL/kg (0.84mL/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 680, 1992.

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