Consensus flow list

Identity

Type
Neutral molecule
CAS
1708-29-8
EC
216-957-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,5-dihydrofuran

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ARGCQEVBJHPOGB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2
IUPAC name chemrof:IUPAC_name 2,5-dihydrofuran
Molecular formula chemrof:molecular_formula C4H6O
Molecular mass chemrof:molecular_mass 70.091
Monoisotopic mass chemrof:monoisotopic_mass 70.041865
SMILES string chemrof:smiles_string C1=CCOC1

Known URLs

10

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=1708-29-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.416 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5051785 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60532 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL117135 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HD0TIE091T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.176K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15570 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2813802 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,5-Dihydrofuran enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4476de4e-7f59-43b8-a93e-c740895bb388 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
69209dc4-edf1-40f6-a74d-c8654fc8e83c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e1ec984a-5fac-489b-aea3-f21385680254 Environmental → Air → Indoor EF 3.1 kg 4
d6fe3e40-d9dc-4c14-9119-1694e6bf6093 Environmental → Air → Long-term EF 3.1 kg 0
039d0568-4233-4900-879f-6baa1b7cde33 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7ce11d5a-2b15-4665-98f8-dda870157ef5 Environmental → Air → Unknown EF 3.1 kg 4
4bbe704f-80c4-436b-80fc-d28ae53da46e Environmental → Ground → Agricultural EF 3.1 kg 4
106d4c19-91d8-4c30-a3ec-3b51a08244e3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
171bc3e2-c634-4817-b115-4b2b2242c1b7 Environmental → Ground → Unknown EF 3.1 kg 4
a831f8ca-222a-483b-ab59-5ca1ccf83f5d Environmental → Water → Long-term EF 3.1 kg 0
72aa73f0-e503-489e-a0cc-5b3762cf5023 Environmental → Water → Ocean EF 3.1 kg 4
38773c9f-5e95-4956-918c-2519a6e59c9e Environmental → Water → Surface water EF 3.1 kg 4
e4509955-d08c-4903-9fea-6a002d1ab68d 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-52e3b914ebb6ea6f",
  "prefLabel": [
    {
      "@value": "2,5-dihydrofuran",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Furan, 2,5-dihydro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1708-29-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H6O"
      ],
      "attested_by": {
        "C4H6O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:15570"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CCOC1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ARGCQEVBJHPOGB-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "ARGCQEVBJHPOGB-UHFFFAOYSA-N": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C1=CCOC1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CCOC1"
          ]
        }
      ],
      "attested_by": {
        "C1=CCOC1": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,5-dihydrofuran"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CCOC1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,5-dihydrofuran"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "2,5-dihydrofuran": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        70.091
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CCOC1"
          ]
        }
      ],
      "attested_by": {
        "70.091": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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",
      "@value": [
        70.041865
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CCOC1"
          ]
        }
      ],
      "attested_by": {
        "70.041865": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.176K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15570;CAS:1708-29-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1708-29-8]"
      }
    },
    {
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1708-29-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1708-29-8",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5051785",
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    },
    {
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    },
    {
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    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[1708-29-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "039d0568-4233-4900-879f-6baa1b7cde33",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "@value": [
        "1708-29-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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    },
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
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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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