2-Butanone,1-(3,4-dimethoxyphenyl)- supplier

Name
1-(3,4-DiMethoxyphenyl)-2-butanone
EINECS
CAS No. 884-06-0
Article Data5
CAS DataBase
Density 1.039 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O₃
Boiling Point 298.4 °C at 760 mmHg
Molecular Weight 208.257
Flash Point 125.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 78466;Veratrylpropan-1-one;1-(3,4-Dimethoxyphenyl)butan-2-one;CID254291;AC1L5PXI;ZINC01718850;
PSA 35.53000
LogP 2.22540

2-Butanone,1-(3,4-dimethoxyphenyl)- Specification

The 2-Butanone,1-(3,4-dimethoxyphenyl)- with CAS registry number of 884-06-0 is also known as Veratrylpropan-1-one. The IUPAC name is 1-(3,4-Dimethoxyphenyl)butan-2-one. In addition, the formula is C₁₂H₁₆O₃ and the molecular weight is 208.25.

Physical properties about 2-Butanone,1-(3,4-dimethoxyphenyl)- are: (1)ACD/LogP: 1.71 ; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 35.53Å²; (5)Index of Refraction: 1.495; (6)Molar Refractivity: 58.45 cm³; (7)Molar Volume: 200.3 cm³; (8)Polarizability: 23.17×10^-24cm³; (9)Surface Tension: 33.4 dyne/cm; (10)Density: 1.039 g/cm³; (11)Flash Point: 125.1 °C; (12)Enthalpy of Vaporization: 53.83 kJ/mol; (13)Boiling Point: 298.4 °C at 760 mmHg; (14)Vapour Pressure: 0.00127 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(CC)Cc1cc(OC)c(OC)cc1
2. InChI: InChI=1/C12H16O3/c1-4-10(13)7-9-5-6-11(14-2)12(8-9)15-3/h5-6,8H,4,7H2,1-3H3
3. InChIKey: PGBQLBXSVSRQPF-UHFFFAOYAC
4. Std. InChI: InChI=1S/C12H16O3/c1-4-10(13)7-9-5-6-11(14-2)12(8-9)15-3/h5-6,8H,4,7H2,1-3H3
5. Std. InChIKey: PGBQLBXSVSRQPF-UHFFFAOYSA-N

Product Name

1-(3,4-DiMethoxyphenyl)-2-butanone

2-Butanone,1-(3,4-dimethoxyphenyl)- Specification

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