Substance
- Substance Name: butyl protocatechuate
- Formula: C11H14O4
- Molecular Weight: 210.23 g/mol
- Identifiers:
- inchi: InChI=1S/C11H14O4/c1-2-3-6-15-11(14)8-4-5-9(12)10(13)7-8/h4-5,7,12-13H,2-3,6H2,1H3
- inchikey: CBDBLXUJRXZQMK-UHFFFAOYSA-N
- casrn: 37622-53-0
- csmiles: CCCCOC(=O)C1=CC(=C(C=C1)O)O
- ismiles: CCCCOC(=O)C1=CC(=C(C=C1)O)O
- pubchemId: 21888677
- iupacname: butyl 3,4-dihydroxybenzoate
- wikidataId: Q82522477
- dsstoxcmpId: DTXCID50570228
butyl protocatechuate
Systems and Datasets
- butyl protocatechuate + octan-1-ol + water (Datasets: 1)
- Dataset 17 in paper 10.1021/acs.jced.8b00258 (Dataseries: 1, Datapoints: 1, Quantity: Amount concentration)