4-hydroxybenzoic Acid
fo-dcd623469b44a096
Identity
- Type
- Neutral molecule
- CAS
- 99-96-7
- EC
- 202-804-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
8- 4-carboxyphenol
- Benzoic acid, 4-hydroxy-
- Benzoic acid, p-hydroxy-
- p-Carboxyphenol
- P-HYDROXYBENZOIC ACID
- p-Hydroxyl benzoic acid
- p-salicylic acid
- Paraben-acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FJKROLUGYXJWQN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) |
| IUPAC name chemrof:IUPAC_name | 4-hydroxybenzoic Acid |
| Molecular formula chemrof:molecular_formula | C7H6O3 |
| Molecular mass chemrof:molecular_mass | 138.122 |
| Monoisotopic mass chemrof:monoisotopic_mass | 138.03169, 138.031694 |
| SMILES string chemrof:smiles_string | O=C(O)c1ccc(O)cc1 |
Known URLs
34Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=30729-36-3 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=99-96-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30763 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.550 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3026647 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB04242 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04242 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4961 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL441343 | enrich_references.pubchem_identifier_url |
| ecmdb | ecmdb:ECMDB00500 | enrich_references.chebi_xrefs |
| femaflavor.org | https://www.femaflavor.org/flavor-library/4-hydroxybenzoic-acid | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:3102 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JG8Z55Y12H | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000500 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2918.29.22.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.201F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00156 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00156 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00000856 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37280 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68533 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:PHB | enrich_references.chebi_xrefs |
| pharos.nih.gov | https://pharos.nih.gov/ligands/NAAR8F4VRLWP | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL441343 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/135 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018038 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17185273 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22770225 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24128482 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24236566 | enrich_references.chebi_xrefs |
| reaxys | reaxys:970950 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q229970 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/4-Hydroxybenzoic_acid | enrich_references.chebi_xrefs |
| ymdb | ymdb:YMDB00495 | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d3fd7e6c-e681-4583-88ac-e6d9132323b8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 03187888-349d-4c18-bde8-1628eb7ca4c2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f522e5f7-c19a-41c4-a53a-d8cee753589b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| b8c5b98b-e4c3-4883-b03e-32917a1a8bf6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5f436ac1-e38a-457d-b417-4b5ccf547cc7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 541c2ec8-ebc3-4cc5-b3fd-0e8f88d8a281 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 9ee5c924-1462-4e9a-99bf-5060dff08314 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fb280150-6a15-4552-ba37-49016e83a37d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 62d46a9b-58ce-4eb0-b815-4fb0ea331c97 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| c70433f2-4709-4db4-9645-de3d246fe9bc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 82dde19b-ad52-4ab9-9625-f457ac369e1c | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 773e6d69-0104-4bd5-9c26-56576966faba | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3d00aa37-bc08-408d-9ede-aff4e3009b35 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works