Consensus flow list

Identity

Type
Neutral molecule
CAS
4904-61-4
EC
225-533-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Cyclododeca-1,5,9-triene

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZOLLIQAKMYWTBR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2
IUPAC name chemrof:IUPAC_name Cyclododeca-1,5,9-triene
Molecular formula chemrof:molecular_formula C12H18
Molecular mass chemrof:molecular_mass 162.276
Monoisotopic mass chemrof:monoisotopic_mass 162.140851
SMILES string chemrof:smiles_string C1=CCCC=CCCC=CCC1

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=4904-61-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.212 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8027581 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12668 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2518 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q61739965 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5665ef2b-4e35-41d7-8695-50c33cd7efb7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
53cee2a7-2e7a-42f6-a362-a771448a7f81 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5cbba8ff-0d66-4f25-b82a-25fd0eaf029c Environmental → Air → Indoor EF 3.1 kg 4
948f060c-b3b3-4d36-8765-4311e6f4ff3c Environmental → Air → Long-term EF 3.1 kg 0
258fe61d-5aaa-4e38-b41e-1cad80fcf992 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a0979fdc-30b5-47e8-bf85-96412efd2208 Environmental → Air → Unknown EF 3.1 kg 4
e7d9b6c8-941f-4aa3-9c19-ea7635bfc960 Environmental → Ground → Agricultural EF 3.1 kg 4
32067f59-0a93-44a8-af22-bef8af2a0b28 Environmental → Ground → Non-agricultural EF 3.1 kg 4
7fa79677-66e7-4dfd-a857-ee7c5b285dbc Environmental → Ground → Unknown EF 3.1 kg 4
498bedd0-0d3c-4398-945f-f4468b593f06 Environmental → Water → Long-term EF 3.1 kg 0
aac744fb-ee1a-420b-8217-3db0a784ff0f Environmental → Water → Ocean EF 3.1 kg 4
329aac20-f368-43c2-9581-88f5197e75f9 Environmental → Water → Surface water EF 3.1 kg 4
7f044152-09f5-4df2-bd4b-57d07a4a7412 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-6ec439ac36f64689",
  "prefLabel": [
    {
      "@value": "Cyclododeca-1,5,9-triene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,5,9-Cyclododecatriene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,5,9-Cyclooctadecatriene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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    },
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      "provenance": [
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    },
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      ],
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "provenance": [
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        },
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        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
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      "provenance": [
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      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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    },
    {
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      "provenance": {
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  "created_from": {
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    "seed_uuid": "258fe61d-5aaa-4e38-b41e-1cad80fcf992",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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