Benzoic Acid
fo-d8bf705409d1d377
Identity
- Type
- Neutral molecule
- CAS
- 65-85-0
- EC
- 200-618-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
19- acide benzoique
- Aromatic carboxylic acid
- Benzenecarboxylic acid
- Benzeneformic acid
- Benzenemethanoic acid
- Benzoesaeure
- Carboxybenzene
- Dracylic acid
- E210
- MENNO-Florades
- MeSH ID: D019817
- Phenylcarboxylic acid
- Phenylformic acid
- Purox B
- Retarder BA
- Salvo liquid
- Solvo powder
- Tenn-Plas
- VevoVitall
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| IUPAC name chemrof:IUPAC_name | Benzoic Acid |
| Molecular formula chemrof:molecular_formula | C7H6O2 |
| Molecular mass chemrof:molecular_mass | 122.123 |
| Monoisotopic mass chemrof:monoisotopic_mass | 122.036779, 122.03678 |
| SMILES string chemrof:smiles_string | O=C(O)c1ccccc1 |
Known URLs
48Where 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=14322-82-8 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=32760-15-9 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=65-85-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30746 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.511.198 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0103 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6020143 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB03793 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03793 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:4664 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/4664 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=149 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758203 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL541 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/benzoic-acid | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:2946 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8SKN0B0MIM | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0001870 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2916.31.11.05 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.358B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00180 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/C00539 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00038 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00180 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C00539 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00038 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00000207 | enrich_references.chebi_xrefs |
| lincs.smallmolecule | lincs.smallmolecule:LSM-37118 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37901 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=BENZOATE | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61646 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:BEZ | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA448578 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/K4JGK686JLC1 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL541 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1475 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/243 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018010 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=545274 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16728954 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17439666 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18314336 | enrich_references.chebi_xrefs |
| reaxys | reaxys:636131 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/18989 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q191700 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Benzoic_Acid | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Benzoic_acid | enrich_references.pubchem_identifier_url |
| ymdb | ymdb:YMDB02301 | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| fddb3d2b-501b-42da-ab6f-afa8b7e69be2 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 11798ba0-c5ef-42e2-9145-9ab8fb0fc830 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 3c3a2e9b-327b-4b9a-a374-6d904b92a45f | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| bb144bcd-8763-41ef-806b-d58ecd4d24dc | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e7eb2731-1140-4f47-9dbe-3a21fce418b1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| ef9c5766-6c45-4602-82d7-bc6fca3fd1c8 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| d423e478-b36a-4489-87e6-23f2cf7e6925 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 72057e40-9620-4bbe-974f-319fa6abe7f2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 325da48e73f04af3b52a67b9e77e22741d137533 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 16677ece-ec07-46d1-9007-acb7a510e479 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 15a8a1e4-d0db-4bfd-ba2e-2f464aaf52fb | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 19950913-1e76-4ad1-ad9b-724f6199610a | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 077451fa-8646-4bb7-aa3c-1aa0c3fcce70 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a10433c1-d1d6-44ba-aa65-ce7ba53b6590 | 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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{
"@value": "Benzoic Acid",
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{
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{
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{
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{
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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