Consensus flow list

Identity

Type
Molecular complex
CAS
68890-66-4
EC
272-574-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Piroctone olamine

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BTSZTGGZJQFALU-UHFFFAOYSA-N, GHPFVSRTGHIHCD-UHFFFAOYSA-O
InChI2D string chemrof:inchi2d_string InChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11,17H,7,9H2,1-5H3;4H,1-3H2
IUPAC name chemrof:IUPAC_name 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt
Molecular formula chemrof:molecular_formula C14H22NO2.C2H8NO, C16H30N2O3
SMILES string chemrof:smiles_string Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCO

Known URLs

6

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=68890-66-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59008 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/D05505 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18837732 enrich_references.chebi_xrefs
reaxys reaxys:7503297 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Piroctone_olamine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c8370102-fd1c-4c99-9685-0f50fdf47382 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2567df0c-87d4-4988-a320-c8e22050ced6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0d86e42b-2742-40d7-8560-68c3e5ccec3b Environmental → Air → Indoor EF 3.1 kg 4
fe1f6681-793d-4516-96c3-bc7e4785dc0c Environmental → Air → Long-term EF 3.1 kg 0
c1afe896-e6d1-4595-bcf4-bf75c835499f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
bd6a9a42-9e0a-4d6a-9417-28952a3dda0c Environmental → Air → Unknown EF 3.1 kg 4
d579f2fa-2fea-4afa-901d-65c4263e5e01 Environmental → Ground → Agricultural EF 3.1 kg 4
14e3623b-f34c-4bab-87d0-922f9b02bc06 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f9569861-e9c5-4538-890f-eb112ff4cffa Environmental → Ground → Unknown EF 3.1 kg 4
b01700d8-e08c-415c-b7e2-50780493b6c3 Environmental → Water → Long-term EF 3.1 kg 0
2d562124-a162-4842-b083-fc6bb7d34662 Environmental → Water → Ocean EF 3.1 kg 4
80be0fc2-0521-48f1-b20e-2dc62ff837ab Environmental → Water → Surface water EF 3.1 kg 4
64a13712-1b1c-40ec-9d4a-a83b5b443c0b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a2a376c1e0297eb6",
  "prefLabel": [
    {
      "@value": "Piroctone olamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_59008"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-pyridone monoethanolamine salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68890-66-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one - 2-aminoethanol (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd. with 2-aminoethanol (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Ethanol, 2-amino-, compd. with 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridinone (1:1)",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octopirox",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octopyrox",
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        ],
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    },
    {
      "@value": "Piroctone ethanolamine salt",
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        {
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}

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