Methyl 2,4,6-trihydroxybenzoate
Properties
- Molecular formula
- C8H8O5
- Molar mass
- 184.15 g/mol
- Exact mass
- 184.0372 Da
- Melting point
- 170–172 °C
- logP
- 0.59Crippen estimate
- Polar surface area
- 87.0 Ų
- H-bond donors / acceptors
- 3 / 5
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction90.7% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3147-39-5SMILES
COC(=O)c1c(O)cc(O)cc1OInChIKey
AQDIJIAUYXOCGX-UHFFFAOYSA-NInChI
InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzoic acid, 2,4,6-trihydroxy-, methyl ester
- ICPD 1
- 2,4,6-Trihydroxybenzoic acid methyl ester
Work with Methyl 2,4,6-trihydroxybenzoate
Similar compounds
2,4-Dihydroxy-6-propyl-benzoic acid methyl ester55382-52-068 % similar
Methyl 2,6-dihydroxybenzoate2150-45-065 % similar
Methyl olivetolate58016-28-763 % similar
Methyl 2,4-dihydroxybenzoate2150-47-262 % similar
Dimethyl 5-hydroxyisophthalate13036-02-761 % similar
3,5-Dihydroxybenzoic acid methyl ester2150-44-961 % similar
Methyl 2,5-dihydroxybenzoate2150-46-157 % similar
2′,4′,6′-Trihydroxyacetophenone480-66-053 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds