2,4-Dihydroxy-6-propylbenzoic acid
Basic information
- CAS
4707-50-0- Standard SMILES
CCCc1cc(O)cc(O)c1C(=O)O- InChIKey
RIVVNGIVVYEIRS-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Overview
Divaric acid is a hydroxybenzoic acid.
Names & identifiers
- Preferred name
- 2,4-Dihydroxy-6-propylbenzoic acid
- IUPAC
- 2,4-dihydroxy-6-propylbenzoic acid
- English name
- 2,4-Dihydroxy-6-propylbenzoic acid
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
2,4-DIHYDROXY-6-PROPYLBENZOIC ACID4707-50-0DIVARIC ACIDDTXSID20197022RefChem:1059748DTXCID30119513Divarinic Acid2,4-Dihydroxy-6-propyl-benzoic acidCHEMBL3770020MFCD20638461Varinolic Acid6-Propyl-b-resorcylic Acid, (7CI,8CI); 2,4-Dihydroxy-6-propylbenzoic Acid; Divaric Acid
Show more names
Benzoic acid, 2,4-dihydroxy-6-propyl-orb2299232SCHEMBL2559667SCHEMBL29424249CHEBI:144145RIVVNGIVVYEIRS-UHFFFAOYSA-NBDBM50268485EBC-06412
Database identifiers
- CAS
4707-50-0- PubChem CID
- 20834
- DTXSID
DTXSID20197022- ChEMBL
CHEMBL3770020- ChEBI
CHEBI:144145- Nikkaji
- J12.777I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 169 °C · 169 °C (decomp)
- Boiling point
- 385.8 · 385.8±22.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- solubility
- DMSO: soluble; Methanol: soluble
- form
- A solid
- pka
- 3.41 · 3.41±0.34(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
UsesDivarinic Acid is an antibacterial compound that strongly inhibits bacterial growth of Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa.
Additional notes
DefinitionChEBI: Divaric acid is a hydroxybenzoic acid.
Suppliers
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Compound notes
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