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| CAS No.: | 2174-64-3 |
|---|---|
| Name: | 3,5-DIHYDROXYANISOLE HYDRATE |
| Molecular Structure: | |
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|
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| Formula: | C7H8O3 |
| Molecular Weight: | 140.139 |
| Synonyms: | 3,5-Dihydroxyanisole; |
| EINECS: | 218-532-9 |
| Density: | 1.27 g/cm3 |
| Melting Point: | 78-80 °C(lit.) |
| Boiling Point: | 326.4 °C at 760 mmHg |
| Flash Point: | 122.5 °C |
| Solubility: | Soluble in water. |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 49.69000 |
| LogP: | 1.10640 |
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Specification
The 1,3-Benzenediol,5-methoxy-, with the CAS registry number of 2174-64-3, is also known as 3,5-Dihydroxyanisole. It belongs to the product categories of Aromatic Ethers; Building Blocks for Dendrimers; Functional Materials. Its EINECS registry number is 218-532-9. This chemical's molecular formula is C7H8O3 and molecular weight is 140.14. What's more, its IUPAC name is 5-Methoxybenzene-1,3-diol.
Physical properties about the 1,3-Benzenediol,5-methoxy- are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.91; (6)ACD/BCF (pH 7.4): 2.85; (7)ACD/KOC (pH 5.5): 74.7; (8)ACD/KOC (pH 7.4): 73.16; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 36.69 cm3; (15)Molar Volume: 110.2 cm3; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 122.5 °C; (19)Enthalpy of Vaporization: 59.12 kJ/mol; (20)Boiling Point: 326.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000114 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Methanol with Benzene-1,3,5-triol. The reaction needs reagent HCl. The reaction time is 3 h with reaction temperature of 70 °C. The yield is about 15 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 2,4,6-Tribromo-5-methoxy-resorcinol. This reaction needs reagent Bromine. Meanwhile, it needs solvent Acetic acid. The yield is about 69 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful if swallowed.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc(O)cc(OC)c1
(2) InChI: InChI=1/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3
(3) InChIKey: HDVRLUFGYQYLFJ-UHFFFAOYAK