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| CAS No.: | 1670-46-8 |
|---|---|
| Name: | 2-ACETYLCYCLOPENTANONE |
| Molecular Structure: | |
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| 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
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| 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 BF3.
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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.
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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 GLANDSAcute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 680, 1992.