Consensus flow list

Identity

Type
Neutral molecule
CAS
99-93-4
EC
202-802-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4'-hydroxyacetophenone

Alternative labels

23

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string TXFPEBPIARQUIG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
IUPAC name chemrof:IUPAC_name 4'-hydroxyacetophenone
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 CC(=O)c1ccc(O)cc1

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=99-93-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28032 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.548 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0029133 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3698 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL201083 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/4-hydroxyacetophenone enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G1L3HT4CMH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.233.995H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.976J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10700 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10700 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002698 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51565 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-10598 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:AC6 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7469 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=026793 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21848266 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22484946 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23014895 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23252272 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23738459 enrich_references.chebi_xrefs
reaxys reaxys:774355 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1541733 enrich_references.pubchem_identifier_url
umbbd.compound umbbd.compound:c0694 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q7190613 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Piceol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
63faa4d6-99b9-4006-aa45-61cd5f525c7a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
596ad570-a6b1-435d-92e5-1092d054337e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6430139d-ad53-410e-9173-2acdd631a33f Environmental → Air → Indoor EF 3.1 kg 4
b84aef90-a038-4446-815f-2271b3b44e5d Environmental → Air → Long-term EF 3.1 kg 0
da40a7ac-32fc-4511-80a4-e80b0224067c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9e4822a8-bb91-40e2-a666-b52b36b2e06b Environmental → Air → Unknown EF 3.1 kg 4
9f96f888-d9d5-4890-a4b4-813184313c39 Environmental → Ground → Agricultural EF 3.1 kg 4
68c05d8f-d863-400c-a208-562cf6d55b13 Environmental → Ground → Non-agricultural EF 3.1 kg 4
453c02ce-484b-4da3-b710-10c1f0737c31 Environmental → Ground → Unknown EF 3.1 kg 4
33773045-d739-4261-9cc6-15432c24b929 Environmental → Water → Long-term EF 3.1 kg 0
783bc79c-c00e-4dda-9fd7-d3d984591b54 Environmental → Water → Ocean EF 3.1 kg 4
f3eefc93-e5b4-4b68-b1e8-58b3d9c4fc6b Environmental → Water → Surface water EF 3.1 kg 4
42ac3b4e-8ac9-4e3b-b228-8f0c2df3ba09 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-15e6a8aa47ba10b5",
  "prefLabel": [
    {
      "@value": "4'-hydroxyacetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4-Hydroxyphenyl)ethan-1-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_28032"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-(4-Hydroxyphenyl)-1-ethanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:99-93-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(4-hydroxyphenyl)ethanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_28032"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Acetophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Acetylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_28032"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Hydroxyacetopenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Hydroxyacetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_28032"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Hydroxyphenyl methyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Hydroxyphenylethanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4′-Hydroxyacetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetophenone, 4′-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetophenone, p-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanone, 1-(4-hydroxyphenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 4-hydroxyphenyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl p-hydroxyphenyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    },
    {
      "@value": "p-Acetophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Acetylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Hydroxyacetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Hydroxyphenyl methyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "para-Hydroxyacetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Piceol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=99-93-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Symsave",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Symsave H",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H8O2"
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      "attested_by": {
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      "rdfs:label": "Molecular formula",
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      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      "rdfs:label": "InChIKey",
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    },
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      "@value": [
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      ],
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
      "attested_by": {
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