Name: 2-ACETYLCYCLOPENTANONE
SKU: 1670-46-8

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Basic Information

Molecular Structure:
CAS No.:	1670-46-8
Name:	2-ACETYLCYCLOPENTANONE
Article Data:	26

Formula:	C₇H₁₀O₂
Molecular Weight:	126.155
Synonyms:	2-Acetyl-1-cyclopentanone;2-Acetylcyclopentanone;NSC 141181;a-Acetylcyclopentanone;
EINECS:	216-797-5
Density:	1.083 g/cm³
Melting Point:	60-70℃
Boiling Point:	197.181 °C at 760 mmHg
Flash Point:	72.778 °C
Appearance:	clear light yellow to brown liquid
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	36
PSA:	34.14000
LogP:	0.94460

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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 BF_3.

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.