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3-Pentanone, 2-methyl-

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Name

3-Pentanone, 2-methyl-

EINECS 209-288-4
CAS No. 565-69-5 Density 0.8g/cm3
PSA 17.07000 LogP 1.62150
Solubility 14.97g/L(25 oC) Melting Point 116.5-118℃
Formula C6H12O Boiling Point 107.4 °C at 760 mmHg
Molecular Weight 100.161 Flash Point 10.8 °C
Transport Information UN 1224 Appearance Colorless clear liquid
Safety 9-16-23-33 Risk Codes 11
Molecular Structure Molecular Structure of 565-69-5 (2-METHYL-3-PENTANONE) Hazard Symbols FlammableF
Synonyms

2-Methyl-3-pentanone;4-Methyl-3-pentanone;Ethyl isopropyl ketone;Isopropyl ethyl ketone;

Article Data 106

3-Pentanone, 2-methyl- Specification

The 3-Pentanone, 2-methyl-, with CAS registry number 565-69-5, has the systematic name of 2-methylpentan-3-one. Besides this, it is also called 2-Methyl-3-pentanone. The main use of this chemical is for solvent. And the chemical formula of this chemical is C6H12O. What's more, its EINECS is 209-288-4.

Physical properties of 3-Pentanone, 2-methyl-: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.27; (6)ACD/BCF (pH 7.4): 5.27; (7)ACD/KOC (pH 5.5): 114.42; (8)ACD/KOC (pH 7.4): 114.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.392; (14)Molar Refractivity: 29.83 cm3; (15)Molar Volume: 125 cm3; (16)Polarizability: 11.82×10-24cm3; (17)Surface Tension: 22.8 dyne/cm; (18)Density: 0.8 g/cm3; (19)Flash Point: 10.8 °C; (20)Enthalpy of Vaporization: 33.84 kJ/mol; (21)Boiling Point: 107.4 °C at 760 mmHg; (22)Vapour Pressure: 27.1 mmHg at 25°C.

Preparation: this chemical can be prepared by propionyl chloride and isopropylmagnesium bromide. This reaction will need solvent diethyl ether. The yield is about 39%.

Uses of 3-Pentanone, 2-methyl-: it can be used to produce 2,4-dichloro-2-methylpentan-3-one. This reaction will need reagent sulphuryl chloride. The reaction time is 24 hour(s). The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
The 3-Pentanone, 2-methyl- is highly flammable, so keep it away from sources of ignition. When use it ,do not breathe vapour and take precautionary measures against static discharges. You should keep its container in a well-ventilated place.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC)C(C)C
(2)InChI: InChI=1/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
(3)InChIKey: HYTRYEXINDDXJK-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
(5)Std. InChIKey: HYTRYEXINDDXJK-UHFFFAOYSA-N

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