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Home > Encyclopedia > Benzoic acid, 3,4-dihydroxy-2-Methyl-, Methyl ester

Benzoic acid, 3,4-dihydroxy-2-Methyl-, Methyl ester

Benzoic acid, 3,4-dihydroxy-2-Methyl-, Methyl ester structure

Benzoic acid, 3,4-dihydroxy-2-Methyl-, Methyl ester 

structure
  • CAS No:

    740799-82-0

  • Formula:

    C9H10O4

  • Chemical Name:

    Benzoic acid, 3,4-dihydroxy-2-Methyl-, Methyl ester

  • Synonyms:

    Methyl 3,4-dihydroxy-2-methylbenzoate;740799-82-0;Benzoic acid, 3,4-dihydroxy-2-methyl-, methyl ester;3,4-Dihydroxy-2-methylbenzoic Acid Methyl Ester;AMBZ0089;SCHEMBL3761829;KS-00000SAP;BCP15233;CS-B0954;MFCD16250128

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Benzoic acid, 3,4-dihydroxy-2-Methyl-, Methyl ester Basic Attributes

182.1733

182.058

2918199090

Characteristics

66.8

1.4

1.296±0.06 g/cm3(Predicted)

158.0 to 163.0 °C

344.7±37.0°C

Safety Information

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzoic acid, 3,4-dihydroxy-2-Methyl-, Methyl ester Use and Manufacturing

To a round bottom flask equipped with magnetic stirring and a reflux condenser was added 3, 4-dihydroxy-2-methylbenzoic acid (23.3 g, 139 mmol), methanol (139 mL), and concentrated sulfuric acid (0.77 mL, 13.9 mmol).

Computed Properties

Molecular Weight:182.17
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:66.8
Heavy Atom Count:13
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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