Consensus flow list

Identity

Type
NeutralMolecule
CAS
122-00-9
EC
204-514-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-(4-methylphenyl)ethanone

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GNKZMNRKLCTJAY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
IUPAC name chemrof:IUPAC_name 1-(4-methylphenyl)ethanone
Molecular formula chemrof:molecular_formula C9H10O
Molecular mass chemrof:molecular_mass 134.178
Monoisotopic mass chemrof:monoisotopic_mass 134.07316, 134.073165
SMILES string chemrof:smiles_string CC(=O)c1ccc(C)cc1

Known URLs

15

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=122-00-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:178626 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.105 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.8186.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9044374 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9401 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL271871 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/4-methylacetophenone enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AX66V0KX3Y enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032608 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.926B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45647 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8500 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2816673 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Methylacetophenone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
622216bf-4f17-4c40-b41c-93ac3f464281 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
393af00c-7967-4cd3-a5e2-6d847caf7424 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
64fc20a6-0bca-4a2a-98b4-77c3e68ecfa2 Environmental → Air → Indoor EF 3.1 kg 4
335e5cc4-07a3-4c5c-bff2-d231c51eb41e Environmental → Air → Long-term EF 3.1 kg 0
688b896a-cfa1-431c-a3bd-076ff8a4824a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d3ea77f7-6900-412f-8620-18b6ad4b23af Environmental → Air → Unknown EF 3.1 kg 4
53f12634-6bc1-478c-884a-72e4850f778a Environmental → Ground → Agricultural EF 3.1 kg 4
fa4b6c0c-af71-43d8-b883-06fcbaa0d92c Environmental → Ground → Non-agricultural EF 3.1 kg 4
f59819e1-cdc9-4618-a282-1e6e69472379 Environmental → Ground → Unknown EF 3.1 kg 4
b1e12f25-662f-4a8f-b96f-36315185440b Environmental → Water → Long-term EF 3.1 kg 0
5d3b425a-3847-4c4b-9c36-82252123c0fd Environmental → Water → Ocean EF 3.1 kg 4
c3b8aea7-b804-4b67-ba39-02e6756a3bad Environmental → Water → Surface water EF 3.1 kg 4
16c82b13-0997-408a-bd9b-b93907cb9841 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-bf1469045c5b9766",
  "prefLabel": [
    {
      "@value": "1-(4-methylphenyl)ethanone",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(4-Methylphenyl)-1-ethanone",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(4-Tolyl)ethanone",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(p-Tolyl)ethan-1-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "1-Acetyl-4-methylbenzene",
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    },
    {
      "@value": "1-p-Tolylethanone",
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      }
    },
    {
      "@value": "4-Acetyltoluene",
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    },
    {
      "@value": "4-Methyl-1-acetylbenzene",
      "@language": "en",
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      }
    },
    {
      "@value": "4-Methylhypnone",
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        ],
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      }
    },
    {
      "@value": "4-Methylphenyl methyl ketone",
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    },
    {
      "@value": "4′-Methylacetophenone",
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    },
    {
      "@value": "Acetophenone, 4′-methyl-",
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      }
    },
    {
      "@value": "Ethanone, 1-(4-methylphenyl)-",
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    },
    {
      "@value": "Melilotal",
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    },
    {
      "@value": "Methyl 4-methylphenyl ketone",
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      }
    },
    {
      "@value": "Methyl p-tolyl ketone",
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    },
    {
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    },
    {
      "@value": "p-Methylacetophenone",
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    },
    {
      "@value": "p-Tolyl methyl ketone",
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    },
    {
      "@value": "Para-methylacetophenone",
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  "references": [
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