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CAS No.: | 530-56-3 |
---|---|
Name: | 4-HYDROXY-3,5-DIMETHOXYBENZYL ALCOHOL |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C9H12O4 |
Molecular Weight: | 184.192 |
Synonyms: | Benzylalcohol, 4-hydroxy-3,5-dimethoxy- (6CI,7CI,8CI);2,6-Dimethoxy-4-(hydroxymethyl)phenol;4-Hydroxy-3,5-dimethoxybenzyl alcohol;Syringic alcohol; |
EINECS: | 208-485-2 |
Density: | 1.23 g/cm3 |
Melting Point: | 50-57 °C(lit.) |
Boiling Point: | 345.3 °C at 760 mmHg |
Flash Point: | 162.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36 |
Transport Information: | UN 2811 6.1/PG 1 |
PSA: | 58.92000 |
LogP: | 0.90170 |
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The Benzenemethanol,4-hydroxy-3,5-dimethoxy-, with CAS registry number 530-56-3, belongs to the following product categories: Benzhydrols, Benzyl & Special Alcohols. It has the systematic name of 4-(hydroxymethyl)-2,6-dimethoxyphenol. And the chemical formula of this chemical is C9H12O4. What's more, its EINECS is 202-041-1.
Physical properties of Benzenemethanol,4-hydroxy-3,5-dimethoxy-: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.22; (8)ACD/KOC (pH 7.4): 14.17; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 47.94 cm3; (15)Molar Volume: 149.6 cm3; (16)Polarizability: 19×10-24cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 162.7 °C; (20)Enthalpy of Vaporization: 62.2 kJ/mol; (21)Boiling Point: 345.3 °C at 760 mmHg; (22)Vapour Pressure: 2.35E-05 mmHg at 25°C.
Uses of Benzenemethanol,4-hydroxy-3,5-dimethoxy-: it can be used to produce 2,6-dimethoxy-[1,4]benzoquinone. This reaction will need reagent Fremy's salt and solvent CHCl3. The reaction time is 1 hour(s). The yield is about 87%.
When you are using this chemical, please be cautious about it as the following:
The Benzenemethanol,4-hydroxy-3,5-dimethoxy- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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(c1cc(cc(OC)c1O)CO)C
(2)InChI: InChI=1/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3
(3)InChIKey: LUOAEJWSKPQLJD-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3
(5)Std. InChIKey: LUOAEJWSKPQLJD-UHFFFAOYSA-N