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Phenylacetic Acid

fo-20125eba50b3367d

Identity

Type
Neutral molecule
CAS
103-82-2
EC
203-148-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Phenylacetic Acid

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WLJVXDMOQOGPHL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
IUPAC name chemrof:IUPAC_name Phenylacetic Acid
Molecular formula chemrof:molecular_formula C8H8O2
Molecular mass chemrof:molecular_mass 136.15
Monoisotopic mass chemrof:monoisotopic_mass 136.052429, 136.05243
SMILES string chemrof:smiles_string O=C(O)Cc1ccccc1

Known URLs

45

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=103-82-2 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=17303-65-0 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30745 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.862 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1260 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021656 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB09269 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4624 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4624 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=125718 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=139637 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1044 enrich_references.pubchem_identifier_url
ecmdb ecmdb:ECMDB04128 enrich_references.chebi_xrefs
femaflavor.org https://www.femaflavor.org/flavor-library/phenylacetic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:68976 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ER5I1W795A enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000209 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2916.34.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.117F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07086 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07086 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000750 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37136 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=PHENYLACETATE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77487 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:PAC enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1044 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/999 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017618 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12147706 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12569987 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15057459 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15506622 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15646820 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17622769 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2083978 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24587751 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24631718 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7544181 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7716788 enrich_references.chebi_xrefs
reaxys reaxys:1099647 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/33332 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q410842 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenylacetic_acid enrich_references.chebi_xrefs
ymdb ymdb:YMDB00891 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
fef16de5-fe90-45e3-8052-ee935a2fa831 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
97a00d26-55c5-4b1d-895a-95b34a622150 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
046e2a45-c587-4e41-9aa8-70e58ca7da32 Environmental → Air → Indoor EF 3.1 kg 2
c351f03d-c44e-40ee-9901-284971bf72b0 Environmental → Air → Long-term EF 3.1 kg 0
ebb52729-664c-4c7f-a028-a2a3b1eeb5a2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8e4f681f-5264-4da3-a1e2-28f566d08a57 Environmental → Air → Unknown EF 3.1 kg 2
68392396-da67-418e-be13-34df31454197 Environmental → Ground → Agricultural EF 3.1 kg 2
6940d56a-a08f-4790-95c9-28dddb4739cb Environmental → Ground → Non-agricultural EF 3.1 kg 2
41ce1841-1021-4966-8f15-4ae9bb80de0e Environmental → Ground → Unknown EF 3.1 kg 2
077d02e3-b6aa-4da3-8028-cf58341decc1 Environmental → Water → Long-term EF 3.1 kg 0
c7491930-8086-4129-83f5-b449d93a7787 Environmental → Water → Ocean EF 3.1 kg 2
83347e3e-2b74-4dda-b42a-7cfab7d240dc Environmental → Water → Surface water EF 3.1 kg 2
addebb67-8c6d-4aa2-a546-2a988ed8329d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-20125eba50b3367d",
  "prefLabel": [
    {
      "@value": "Phenylacetic Acid",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "2-PHENYLACETIC ACID",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2-Phenylethanoic acid",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Acetic acid, phenyl-",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "alpha-toluic acid",
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      }
    },
    {
      "@value": "Benzeneacetic acid",
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    },
    {
      "@value": "Benzylformic acid",
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    },
    {
      "@value": "Omega-Phenylacetic acid",
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    },
    {
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        ],
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      }
    },
    {
      "@value": "α-Toluic acid",
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    },
    {
      "@value": "ω-Phenylacetic acid",
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  },
  "references": [
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