Methyl 3,4-dihydroxybenzoate
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Methyl 3,4-dihydroxybenzoate
structure -
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CAS No:
2150-43-8
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Formula:
C8H8O4
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Chemical Name:
Methyl 3,4-dihydroxybenzoate
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Synonyms:
Benzoic acid,3,4-dihydroxy-,methyl ester;Protocatechuic acid,methyl ester;3,4-Dihydroxybenzoic acid methyl ester;Methyl protocatechuate;Methyl 3,4-dihydroxybenzoate;NSC 146458;118074-32-1
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CAS No:
Description
Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester;Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1].
Methyl 3,4-dihydroxybenzoate is a methyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with methanol. It has a role as an antioxidant, a neuroprotective agent and a plant metabolite. It is a methyl ester and a member of catechols. It derives from a 3,4-dihydroxybenzoic acid.
Methyl 3,4-dihydroxybenzoate Basic Attributes
168.15
168.15
1637939
G72J90268X
146458
DTXSID20301804
2918290000
Characteristics
66.8
1.5
White to off-white crystalline powder
1.4±0.1 g/cm3
134-135 °C
120-180 °C @ Press: 1.5 Torr
148.5±15.8 °C
1.588
2.02E-05mmHg at 25°C
Safety Information
36/37/38
26-36-37
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl 3,4-dihydroxybenzoate Use and Manufacturing
The methyl ester of 3,4-Dihydroxybenzoic Acid (D451680) with antioxidant properties.
Computed Properties
Molecular Weight:168.15
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:168.04225873
Monoisotopic Mass:168.04225873
Topological Polar Surface Area:66.8
Heavy Atom Count:12
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Business licensed Certified factoryManufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment ChemicalsInquiryCAS No.: 2150-43-8Grade: Industrial GradeContent: 99%
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