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CAS No.: | 4385-56-2 |
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Name: | 3,5-DIMETHOXY-4-HYDROXYPHENYLACETIC ACID |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H12O5 |
Molecular Weight: | 212.202 |
Synonyms: | Aceticacid, (4-hydroxy-3,5-dimethoxyphenyl)- (6CI,8CI);3,5-Dimethoxy-4-hydroxyphenylacetic acid;4-Hydroxy-3,5-dimethoxybenzeneaceticacid;4-Hydroxy-3,5-dimethoxyphenylacetic acid;Homosyringic acid; |
EINECS: | 224-494-4 |
Density: | 1.299 g/cm3 |
Melting Point: | 127-131 °C(lit.) |
Boiling Point: | 397.1 °C at 760 mmHg |
Flash Point: | 158.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26-36/37 |
PSA: | 75.99000 |
LogP: | 1.03650 |
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The Benzeneacetic acid,4-hydroxy-3,5-dimethoxy-, with the CAS registry number 4385-56-2, is also known as 4-Hydroxy-3,5-dimethoxyphenylacetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; C10; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 224-494-4. This chemical's molecular formula is C10H12O5 and molecular weight is 212.068473. Its IUPAC name is called 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid.
Physical properties of Benzeneacetic acid,4-hydroxy-3,5-dimethoxy-: (1)ACD/LogP: 0.06; (2)ACD/LogD (pH 5.5): -1.23; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.33; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 52.6 cm3; (13)Molar Volume: 163.3 cm3; (14)Surface Tension: 49.8 dyne/cm; (15)Density: 1.299 g/cm3; (16)Flash Point: 158.7 °C; (17)Enthalpy of Vaporization: 68.29 kJ/mol; (18)Boiling Point: 397.1 °C at 760 mmHg; (19)Vapour Pressure: 5.08E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to eyes. You should not breathe its dust. Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=CC(=C1O)OC)CC(=O)O
(2)InChI: InChI=1S/C10H12O5/c1-14-7-3-6(5-9(11)12)4-8(15-2)10(7)13/h3-4,13H,5H2,1-2H3,(H,11,12)
(3)InChIKey: BQBQKSSTFGCRQL-UHFFFAOYSA-N