Brightway Flows 1.0
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Phenyl Salicylate

fo-470fd72c5e9eb8ab

Identity

Type
Neutral molecule
CAS
118-55-8
EC
204-259-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Phenyl Salicylate

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZQBAKBUEJOMQEX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H
IUPAC name chemrof:IUPAC_name Phenyl Salicylate
Molecular formula chemrof:molecular_formula C13H10O3
Molecular mass chemrof:molecular_mass 214.22
Monoisotopic mass chemrof:monoisotopic_mass 214.06299, 214.062994
SMILES string chemrof:smiles_string O=C(Oc1ccccc1)c1ccccc1O

Known URLs

28

Where 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=118-55-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34918 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.873 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021957 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11071 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3462 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3462 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=33406 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1339216 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/phenyl-salicylate enrich_references.pubchem_identifier_url
gmelin gmelin:219822 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/28A37T47QO enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032018 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.300G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14163 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14163 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45212 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C75079 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1339216 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8361 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/1650428 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18031889 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24004914 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7326927 enrich_references.chebi_xrefs
reaxys reaxys:393969 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/36122 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q421259 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenyl_salicylate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
1f9d44bd-bccf-4568-b910-218738ce6370 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1595256b-4bea-4300-a6be-c590a14fab88 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
299ae701-1794-488b-96c7-231ef5e0f342 Environmental → Air → Indoor EF 3.1 kg 2
afd20caf-0a68-4c7f-a95b-2e61d2223d3c Environmental → Air → Long-term EF 3.1 kg 0
f792aa3c-b00c-424e-86f3-62e561496117 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
19eb74c4-e39d-407f-bc2f-24675459443e Environmental → Air → Unknown EF 3.1 kg 2
ccc80c27-54a4-4a3e-8a90-f5beb05e0969 Environmental → Ground → Agricultural EF 3.1 kg 2
727717c7-bb24-40e3-8bf6-2894a21eeb03 Environmental → Ground → Non-agricultural EF 3.1 kg 2
329bd7aa-c460-49ef-858c-53fdbda949f0 Environmental → Ground → Unknown EF 3.1 kg 2
33a79306-ba19-47e7-83fb-8fe328125c9d Environmental → Water → Long-term EF 3.1 kg 0
b34ae9b9-8063-452d-bc55-dcf74bb6141d Environmental → Water → Ocean EF 3.1 kg 2
a662c06f-c2b9-4c17-8a70-dc719842ea94 Environmental → Water → Surface water EF 3.1 kg 2
abb74319-f37d-4033-97d8-326f83d39c80 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-470fd72c5e9eb8ab",
  "prefLabel": [
    {
      "@value": "Phenyl Salicylate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "2-Hydroxy-benzoic acid phenyl ester",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Phenoxycarbonylphenol",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzoic acid, 2-hydroxy-, phenyl ester",
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    },
    {
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    {
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    {
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    {
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    {
      "@value": "Seesorb K 201",
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