Consensus flow list

Identity

Type
Neutral molecule
CAS
141-10-6
EC
205-457-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Pseudoionone

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JXJIQCXXJGRKRJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3
IUPAC name chemrof:IUPAC_name 2,6-Dimethylundeca-2,6,8-triene-10-one
Molecular formula chemrof:molecular_formula C13H20O
Molecular mass chemrof:molecular_mass 192.302
Monoisotopic mass chemrof:monoisotopic_mass 192.151415
SMILES string chemrof:smiles_string CC(=O)C=CC=C(C)CCC=C(C)C

Known URLs

4

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=141-10-6 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7029168 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/78954 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2115736 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d22fb6d6-ac8a-4521-91e4-6d36946b8c58 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
869195c9-0ad9-4c69-a537-7b0be031d4ba Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b70b8f42-fea6-4ef2-ae75-3eedc1b67fb2 Environmental → Air → Indoor EF 3.1 kg 4
f0a5a4d2-b508-4470-8ddc-783eeb215c2f Environmental → Air → Long-term EF 3.1 kg 0
b6c89cfd-098d-483a-b0c5-1200d44750cc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fd67cf79-d391-4ce8-afe6-e3ba1769c276 Environmental → Air → Unknown EF 3.1 kg 4
bee4c3cb-3ec7-4466-bb1b-c3ba7133aa26 Environmental → Ground → Agricultural EF 3.1 kg 4
16cf8133-6cb8-4e4a-b5e0-890a75fd4a4e Environmental → Ground → Non-agricultural EF 3.1 kg 4
5ee77c40-589f-4bf6-8d0d-bca444a0f09f Environmental → Ground → Unknown EF 3.1 kg 4
b0ac20c7-424a-4cab-b1e9-14f1be353a79 Environmental → Water → Long-term EF 3.1 kg 0
b49adb85-f999-49fe-a8db-dd575a4bce12 Environmental → Water → Ocean EF 3.1 kg 4
e74b26a7-7c5c-423a-b732-ce0d81eb4fb1 Environmental → Water → Surface water EF 3.1 kg 4
0482669d-fdfa-4271-826e-57be819012c3 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-35e6cfdc9659a84d",
  "prefLabel": [
    {
      "@value": "Pseudoionone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:141-10-6",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_67207"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Dimethyl-2,6,8-undecatrien-10-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=141-10-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dimethylhendeca-2,6,8-trien-10-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dimethylundeca-2,6,8-triene-10-one",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Pseudoionone",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2-Pseudojonon",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "3,5,9-Undecatrien-2-one, 6,10-dimethyl-",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "6,10-Dimethyl-3,5,9-undecatrien-2-one",
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    },
    {
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    },
    {
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      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Citrylideneacetone",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "φ-Ionone",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "ψ-Ionone",
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  ],
  "properties": {
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      },
      "rdfs:label": "InChIKey",
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      "rdfs:label": "InChI",
      "@value": [
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      "attested_by": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "@type": [
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}

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