1,3-Butanedione,1-(2,4,6-trimethylphenyl)- supplier

Name
1-(2-MESITYLENE)-1,3-BUTANEDIONE
EINECS
CAS No. 6450-57-3
Article Data7
CAS DataBase
Density 1.021 g/cm³
Solubility
Melting Point 45 °C
Formula C₁₃H₁₆O₂
Boiling Point 319.8 °C at 760 mmHg
Molecular Weight 204.269
Flash Point 119.8 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Mesityl-1,3-butanedione;2,4,6-Trimethylbenzoylacetone;Mesitoylacetone;1,3-Butanedione,1-mesityl- (7CI,8CI);1-(2,4,6-Trimethylphenyl)-1,3-butanedione;1-(2-Mesitylene)-1,3-butanedione;
PSA 34.14000
LogP 2.77360

1,3-Butanedione,1-(2,4,6-trimethylphenyl)- Specification

The 1,3-Butanedione,1-(2,4,6-trimethylphenyl)-, with the CAS registry number 6450-57-3, is also known as 1-(2-Mesitylene)-1,3-butanedione. This chemical's molecular formula is C₁₃H₁₆O₂ and molecular weight is 204.26. What's more, its systematic name is 1-(2,4,6-Trimethylphenyl)butane-1,3-dione. When using it, you should avoid contact with skin and eyes.

Physical properties of 1,3-Butanedione,1-(2,4,6-trimethylphenyl)- are: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 34.14 Å²; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 60.05 cm³; (9)Molar Volume: 199.9 cm³; (10)Polarizability: 23.8×10^-24cm³; (11)Surface Tension: 36 dyne/cm; (12)Density: 1.021 g/cm³; (13)Flash Point: 119.8 °C; (14)Enthalpy of Vaporization: 56.14 kJ/mol; (15)Boiling Point: 319.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000331 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(2,4,6-trimethyl-phenyl)-ethanone at room temperature. This reaction will need reagents CH₃COOR, NaH, dibenzo-18-crown-6, ethanol and solvent tetrahydrofuran with the reaction time of 0.5 hour. The yield is about 96%.

1,3-Butanedione,1-(2,4,6-trimethylphenyl)- can be prepared by 1-(2,4,6-trimethyl-phenyl)-ethanone at room temperature

Uses of 1,3-Butanedione,1-(2,4,6-trimethylphenyl)-: it can be used to produce C₁₃H₁₄N₂O₂ at the ambient temperature. It will need reagents tosyl azide, KF•2H₂O, dibenzo-18-crown-6 and solvent CH₂Cl₂ with the reaction time of 6 hours. The yield is about 72%.

1,3-Butanedione,1-(2,4,6-trimethylphenyl)- can be used to produce C13H14N2O2 at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(cc(cc1C)C)C)CC(=O)C
(2)InChI: InChI=1S/C13H16O2/c1-8-5-9(2)13(10(3)6-8)12(15)7-11(4)14/h5-6H,7H2,1-4H3
(3)InChIKey: MBZZDUHWYNESIY-UHFFFAOYSA-N

Product Name

1-(2-MESITYLENE)-1,3-BUTANEDIONE

1,3-Butanedione,1-(2,4,6-trimethylphenyl)- Specification

Related Products

Hot Products