Basic information
- Name:
2-Butanone,3-hydroxy-3-methyl-
- Superlist Name:
- 3-Hydroxy-3-methyl-2-butanone
- CAS No.:
115-22-0
- Molecular Structure:
- Formula:
- C5H10O2
- Molecular Weight:
- 102.13
- Deleted CAS:
- 109916-60-1
- Synonyms:
- 1-Hydroxy-1-methylethylmethyl ketone;2-Hydroxy-2-methyl-3-butanone;2-Methyl-2-hydroxy-3-butanone;3-Hydroxy-3-methylbutanone;3-Methyl-3-hydroxy-2-butanone;3-Methylacetoin;Acetyldimethylcarbinol;Dimethylacetylcarbinol;Methylacetoin;NSC 5576;
- EINECS:
- 204-073-1
- Density:
- 0.966 g/cm3
- Boiling Point:
- 145.214 °C at 760 mmHg
- Flash Point:
- 42.222 °C
- Appearance:
- clear colourless to light yellow liquid
- Risk Codes:
- 10
- Safety Description:
- 23-24/25-22 Details
- Transport Information:
- UN 1224 3/PG 3
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Specification
The 2-Butanone,3-hydroxy-3-methyl- is an organic compound with the formula C5H10O2. The IUPAC name of this chemical is 3-hydroxy-3-methylbutan-2-one. With the CAS registry number 115-22-0, it is also named as 1-Hydroxy-1-methylethyl methyl ketone. The product's categories are C3 to C6; Carbonyl Compounds; Ketones. Besides, it is clear colourless to light yellow liquid, which should be stored in a cool and well-ventilated place.
Physical properties about 2-Butanone,3-hydroxy-3-methyl- are: (1)ACD/LogP: -0.08; (2)ACD/LogD (pH 5.5): -0.08; (3)ACD/LogD (pH 7.4): -0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.47; (7)ACD/KOC (pH 7.4): 21.47; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.419; (13)Molar Refractivity: 26.74 cm3; (14)Molar Volume: 105.7 cm3; (15)Polarizability: 10.6×10-24cm3; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 0.965 g/cm3; (18)Flash Point: 42.2 °C; (19)Enthalpy of Vaporization: 44.53 kJ/mol; (20)Boiling Point: 145.2 °C at 760 mmHg; (21)Vapour Pressure: 1.94 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methyl-but-3-yn-2-ol. This reaction will need reagent [(Ph3P)AuCH3], sulfuric acid and solvent H2O, methanol. The reaction time is 120 min with reaction temperature of 70 °C. The yield is about 44%.
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Uses of 2-Butanone,3-hydroxy-3-methyl-: it can be used to produce 2,5-dihydroxy-2-methyl-heptan-3-one. This reaction is a kind of aldol reaction. It will need reagent n-BuLi, diisopropylamine and solvent tetrahydrofuran, hexane. The yield is about 50%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. When you are using it, Do not breathe dust, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)C(O)(C)C
(2)InChI: InChI=1/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
(3)InChIKey: BNDRWEVUODOUDW-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
(5)Std. InChIKey: BNDRWEVUODOUDW-UHFFFAOYSA-N
