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| CAS No.: | 91-10-1 |
|---|---|
| Name: | 2,6-Dimethoxyphenol |
| Article Data: | 133 |
| Molecular Structure: | |
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| Formula: | C8H10O3 |
| Molecular Weight: | 154.166 |
| Synonyms: | 1,3-Dimethoxy-2-hydroxybenzene;2,6-Dimethoxyphenol;2-Hydroxy-1,3-dimethoxybenzene;Pyrogallol 1,3-dimethylether;Syringol; |
| EINECS: | 202-041-1 |
| Density: | 1.134 g/cm3 |
| Melting Point: | 50-57 °C(lit.) |
| Boiling Point: | 264.5 °C at 760 mmHg |
| Flash Point: | 99.9 °C |
| Solubility: | 2 g/100 mL (13 oC) |
| Appearance: | off-white or grey to brown crystalline powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36-37/39 |
| Transport Information: | UN 2811 |
| PSA: | 38.69000 |
| LogP: | 1.40940 |
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Specification
This chemical is called Phenol, 2,6-dimethoxy-, and its systematic name is 2,6-dimethoxyphenol. With the molecular formula of C8H10O3, its molecular weight is 154.18. The CAS registry number of this chemical is 91-10-1. Additionally, its product categories are Flavor; Aromatic Hydrocarbons (substituted) & Derivatives;phenol Flavor.
Other characteristics of the Phenol, 2,6-dimethoxy- can be summarised as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 2.27; (7)ACD/KOC (pH 5.5): 62.63; (8)ACD/KOC (pH 7.4): 62.47; (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)Polarizability: 16.44×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.134 g/cm3; (19)Flash Point: 99.9 °C; (20)Enthalpy of Vaporization: 52.26 kJ/mol; (21)Boiling Point: 264.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00591 mmHg at 25°C.
Production method of this chemical: The Phenol, 2,6-dimethoxy- could be obtained by the reactant of 1,2,3-trimethoxy-benzene. This reaction needs the reagent of potassium hydroxide.
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Uses of this chemical: The Phenol, 2,6-dimethoxy- could react with 1-bromo-3-chloro-propane, and obtain the 1-Chlor-3-(2.6-dimethoxy-phenoxy)-propan. This reaction needs the reagent of K2CO3, and the solvent of acetone. The yield is 36 %. In addition, this reaction should be taken for 24 hours. The other condition is heating.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O(c1cccc(OC)c1O)C
2.InChI: InChI=1/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
3.InChIKey: KLIDCXVFHGNTTM-UHFFFAOYAG