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Cas Database |
| Name |
2-Butanone,1-(3,4-dimethoxyphenyl)- |
EINECS | N/A |
| CAS No. | 884-06-0 | Density | 1.039 g/cm3 |
| PSA | 35.53000 | LogP | 2.22540 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H16O3 | Boiling Point | 298.4 °C at 760 mmHg |
| Molecular Weight | 208.257 | Flash Point | 125.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
NSC 78466;Veratrylpropan-1-one;1-(3,4-Dimethoxyphenyl)butan-2-one;CID254291;AC1L5PXI;ZINC01718850; |
Article Data | 5 |
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
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