Methyl gallate

C₈H₈O₅CAS 99-24-1184.15 g/mol

Open in Covalent MOL file

Ester Phenol

Properties

Molecular formula: C₈H₈O₅
Molar mass: 184.15 g/mol
Exact mass: 184.0372 Da
Melting point: 261.5 °C
logP: 0.59Crippen estimate
Polar surface area: 87.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation98% of notifiers
H317 May cause an allergic skin reaction81.6% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation93.9% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

99-24-1

SMILES

COC(=O)c1cc(O)c(O)c(O)c1

InChIKey

FBSFWRHWHYMIOG-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Gallic acid, methyl ester
3,4,5-Trihydroxybenzoic acid methyl ester
Methyl 3,4,5-trihydroxybenzoate
NSC 363001
Gallincin
Benzoic acid, 3,4,5-trihydroxy-, methyl ester

Work with Methyl gallate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3,4-dihydroxybenzoate2150-43-868 % similar Methyl 3,5-dichloro-4-hydroxybenzoate3337-59-564 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-364 % similar Methyl syringate884-35-564 % similar Trimethyl benzene-1,3,5-tricarboxylate2672-58-463 % similar Ethyl gallate831-61-862 % similar Dimethyl 5-hydroxyisophthalate13036-02-761 % similar 3,5-Dihydroxybenzoic acid methyl ester2150-44-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(±)-3,4-Dihydroxymandelic acid14883-87-5 Methyl 2,4,6-trihydroxybenzoate3147-39-5 3-O-Methylgallic acid3934-84-7 2,5-Dimethyl 2,5-furandicarboxylate4282-32-0

Elsewhere

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