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