Ethyl protocatechuate
Properties
- Molecular formula
- C9H10O4
- Molar mass
- 182.17 g/mol
- Exact mass
- 182.0579 Da
- Melting point
- 129–130 °C
- logP
- 1.27Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation95.4% of notifiers
- H319 Causes serious eye irritation95.4% of notifiers
- H335 May cause respiratory irritation93.1% of notifiers
Aggregated from 87 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3943-89-3SMILES
CCOC(=O)c1ccc(O)c(O)c1InChIKey
KBPUBCVJHFXPOC-UHFFFAOYSA-NInChI
InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- NSC 86130
- Benzoic acid, 3,4-dihydroxy-, ethyl ester
- Protocatechuic acid, ethyl ester
- 3,4-Dihydroxybenzoic acid ethyl ester
- Ethyl 3,4-dihydroxybenzoate
- NSC 619681
Work with Ethyl protocatechuate
Similar compounds
Ethyl vanillate617-05-073 % similar
Ethyl gallate831-61-871 % similar
Diethyl terephthalate636-09-967 % similar
4-Hydroxy-3-nitrobenzoic acid ethyl ester19013-10-666 % similar
Ethylparaben120-47-865 % similar
1,3-Diethyl 1,3-benzenedicarboxylate636-53-364 % similar
Ethyl 3-hydroxybenzoate7781-98-862 % similar
Methyl 3,4-dihydroxybenzoate2150-43-862 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.