Consensus flow list

Identity

Type
Neutral molecule
CAS
19780-11-1
EC
243-296-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-dodec-2-en-1-yl Dihydrofuran-2,5-dione

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UYCICMIUKYEYEU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3
IUPAC name chemrof:IUPAC_name 3-dodec-2-en-1-yl Dihydrofuran-2,5-dione
Molecular formula chemrof:molecular_formula C16H26O3
Molecular mass chemrof:molecular_mass 266.381
Monoisotopic mass chemrof:monoisotopic_mass 266.188195
SMILES string chemrof:smiles_string CCCCCCCCCC=CCC1CC(=O)OC1=O

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=19780-11-1 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7025217 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/29772 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81976231 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d79959eb-9def-49ee-a349-b6b8b40370b1 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2fab1eae-ea39-4dc0-89a0-6f161e77137b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
eaa1dcf3-d17f-41d6-8cfc-3ca98d1872ae Environmental → Air → Indoor EF 3.1 kg 4
f4b437e1-7875-46ed-95e5-8fe159d9988a Environmental → Air → Long-term EF 3.1 kg 0
9e64d49e-fc67-461b-af48-101c6cf9d684 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f80a753d-8f36-45d9-8a1d-5fed8784e911 Environmental → Air → Unknown EF 3.1 kg 4
9398e478-dc38-4294-8346-746bc41b9db5 Environmental → Ground → Agricultural EF 3.1 kg 4
9cdc28fe-9a89-4270-b9c9-34ae2405ed60 Environmental → Ground → Non-agricultural EF 3.1 kg 4
68258dfa-0ec7-4b3c-8050-70d38b032b4b Environmental → Ground → Unknown EF 3.1 kg 4
507a8d0a-878d-47b8-91ce-1ab6caf05b68 Environmental → Water → Long-term EF 3.1 kg 0
2a4e2bfe-67ef-4e80-8a0c-d5d73f18892d Environmental → Water → Ocean EF 3.1 kg 4
c4a8b5a2-273a-4774-8e78-5bbb8f88d5fc Environmental → Water → Surface water EF 3.1 kg 4
6725c8d6-5ad4-4e09-bd42-0d59f5b6e7cd 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-afcf89261ff55ee4",
  "prefLabel": [
    {
      "@value": "3-dodec-2-en-1-yl Dihydrofuran-2,5-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Dodecen-1-yl)succinic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Furandione, 3-(2-dodecenyl)dihydro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(2-Dodecen-1-yl)dihydro-2,5-furandione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Succinic anhydride, (2-dodecenyl)-",
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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        {
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        "UYCICMIUKYEYEU-UHFFFAOYSA-N"
      ],
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
      "provenance": [
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          ]
        },
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          ]
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      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      ],
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        },
        {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "3-dodec-2-en-1-yl Dihydrofuran-2,5-dione": [
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCC=CCC1CC(=O)OC1=O"
          ]
        }
      ],
      "attested_by": {
        "266.381": [
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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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      ],
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      },
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  },
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2a4e2bfe-67ef-4e80-8a0c-d5d73f18892d",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
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  },
  "classifications": {
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        "19780-11-1"
      ],
      "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": [
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  ]
}

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