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Name |
Phenol, 2,5-dimethoxy- |
EINECS | N/A |
CAS No. | 18113-18-3 | Density | 1.134 g/cm3 |
PSA | 38.69000 | LogP | 1.40940 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10O3 | Boiling Point | 269.4 °C at 760 mmHg |
Molecular Weight | 154.166 | Flash Point | 116.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,5-Dimethoxyphenol;3,6-Dimethoxyphenol;3-Hydroxy-4-methoxyanisole; |
Article Data | 41 |
The Phenol, 2, 5-dimethoxy-, with the CAS registry number of 18113-18-3, is also known as 2, 5-Dimethoxy-phenol. This chemical's molecular formula is C8H10O3 and molecular weight is 154.16. What's more, its IUPAC name is 2, 5-Dimethoxyphenol.
Physical properties about Phenol, 2, 5-dimethoxy- are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.44; (6)ACD/BCF (pH 7.4): 5.4; (7)ACD/KOC (pH 5.5): 116.92; (8)ACD/KOC (pH 7.4): 116.19; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 41.49 cm3; (15)Molar Volume: 135.8 cm3; (16)Surface Tension: 37.2 dyne/cm; (17)Density: 1.134 g/cm3; (18)Flash Point: 116.7 °C; (19)Enthalpy of Vaporization: 52.79 kJ/mol; (20)Boiling Point: 269.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0044 mmHg at 25 °C.
Preparation: this chemical is prepared by 2-Acetoxy-1, 4-dimethoxy-benzene. The reaction needs reagent KOH and solvent Ethanol. The yield is about 80 %.
Uses: it is used to produce other chemicals. For example, it is used to produce 2-(2, 5-Dimethoxy-phenoxy)-tetrahydro-pyran at ambient temperature. The reaction needs reagent Picric acid. The yield is about 92 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc(OC)ccc1OC
(2) InChI: InChI=1/C8H10O3/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,9H,1-2H3
(3) InChIKey: KYFBKHRLIHDKPB-UHFFFAOYAW