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Name |
1,3-Benzenediol, 4-methoxy- |
EINECS | N/A |
CAS No. | 6100-60-3 | Density | 1.27 g/cm3 |
PSA | 49.69000 | LogP | 1.10640 |
Solubility | N/A | Melting Point |
66 °C |
Formula | C7H8O3 | Boiling Point | 281.5 °C at 760 mmHg |
Molecular Weight | 140.139 | Flash Point | 124 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Resorcinol,4-methoxy- (6CI,7CI,8CI);2,4-Dihydroxyanisole;3-Hydroxy-4-methoxyphenol;4-Methoxyresorcinol; |
Article Data | 25 |
This chemical is called 1,3-Benzenediol, 4-methoxy-, and its systematic name is 4-methoxybenzene-1,3-diol. With the molecular formula of C7H8O3, its molecular weight is 140.14. The CAS registry number of this chemical is 6100-60-3. Additionally, its product category is Aromatic Phenols.
Other characteristics of the 1,3-Benzenediol, 4-methoxy- can be summarised as followings: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 38.24; (8)ACD/KOC (pH 7.4): 38.02; (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)Polarizability: 14.54×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 124 °C; (20)Enthalpy of Vaporization: 54.12 kJ/mol; (21)Boiling Point: 281.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00209 mmHg at 25°C.
Production method of this chemical: The 1,3-Benzenediol, 4-methoxy- could be obtained by the reactant of 3-Acetoxy-4-methoxy-phenol. This reaction needs the reagent of aqueous H2SO4.
Uses of this chemical: The 1,3-Benzenediol, 4-methoxy- could react with 3-methyl-but-2-enoic acid, and obtain the 7-hydroxy-6-methoxy-2,2-dimethyl-chroman-4-one. This reaction needs the reagent of trifluoroacetic acid. The yield is 82 %. In addition, this reaction should be taken for 1 hour at the temperature of 80 °C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc1cc(O)ccc1OC
2.InChI: InChI=1/C7H8O3/c1-10-7-3-2-5(8)4-6(7)9/h2-4,8-9H,1H3
3.InChIKey: GPJJASIJVRXZFI-UHFFFAOYAK