Name: 3,3-Dimethoxybutan-2-one
SKU: 21983-72-2

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Basic Information

Molecular Structure:
CAS No.:	21983-72-2
Name:	3,3-Dimethoxybutan-2-one

Formula:	C₆H₁₂O₃
Molecular Weight:	132.159
Synonyms:	2,3-Butanedione,dimethyl acetal (8CI);3,3-Dimethoxy-2-butanone;3,3-Dimethoxybutan-2-one;
Density:	0.961 g/cm³
Boiling Point:	145.499 °C at 760 mmHg
Flash Point:	45 °C
Appearance:	Clear colorless liquid
Hazard Symbols:	Xi,F
Risk Codes:	10
Safety:	16
Transport Information:	UN 1224 3/PG 3
PSA:	35.53000
LogP:	0.58440

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Specification

The 3,3-Dimethoxybutan-2-one with the cas registry number of 21983-72-2 belongs to the product categories of aliphatics; C3 to C6; carbonyl compounds; ketones. Its molecular formula is C₆H₁₂O₃ and formula weight is 132.16. This chemical is also known as 3,3-Dimethoxy-2-butanone and 2-Butanone, 3,3-dimethoxy-. What's more, both its systematic name and IUPAC name are the same which is called 3,3-Dimethoxybutan-2-one. This chemical is clear colorless liquid.

Physical properties about this chemical are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.44; (5)ACD/BCF (pH 5.5): 1.28; (6)ACD/BCF (pH 7.4): 1.28; (7)ACD/KOC (pH 5.5): 41.47; (8)ACD/KOC (pH 7.4): 41.47; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.4; (14)Molar Refractivity: 33.33 cm³; (15)Molar Volume: 137.4 cm³; (16)Surface Tension: 25.9 dyne/cm; (17)Density: 0.961 g/cm³; (18)Flash Point: 45 °C; (19)Enthalpy of Vaporization: 38.25 kJ/mol; (20)Boiling Point: 145.5 °C at 760 mmHg; (21)Vapour Pressure: 4.85 mmHg at 25°C.

Preparation: 3,3-Dimethoxy-butan-2-one can be prepared by Butane-2,3-dione and Methanol. This reaction will need reagent chlorotrimethylsilane. The reaction time is 18 hours with the ambient temperature. The yield is about 91%.

Uses of 3,3-Dimethoxy-butan-2-one: it can be used to produce 3-Methoxy-but-3-en-2-one at temperature of 165 ℃. It will need reagent diisopropylethylammonium tosylate. The yield is about 48%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may catch fire in contact with air, only needs brief contact with an ignition source. At the same time, it has a very low flash point or evolve highly flammable gases in contact with water. Keep away from sources of ignition - No smoking whenever you store it.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C(C)(OC)OC;
(2)InChI: InChI=1S/C6H12O3/c1-5(7)6(2,8-3)9-4/h1-4H3;
(3)InChIKey: UFQBSPGKRRSATO-UHFFFAOYSA-N.

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Specification