Consensus flow list

Identity

Type
Neutral molecule
CAS
26761-45-5
EC
247-979-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,3-epoxypropyl Neodecanoate

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FIWHJQPAGLNURC-UHFFFAOYSA-N, QQWAKSKPSOFJFF-NSHDSACASA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H24O3/c1-13(2,3)8-6-4-5-7-12(14)16-10-11-9-15-11/h11H,4-10H2,1-3H3
IUPAC name chemrof:IUPAC_name 2,3-epoxypropyl Neodecanoate
Molecular formula chemrof:molecular_formula C13H24O3
SMILES string chemrof:smiles_string CC(C)(C)CCCCCC(=O)OCC1CO1

Known URLs

8

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=26761-45-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.603 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20275056 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5V72X484L7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.465.556A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/33600 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92169848 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27262920 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f6924c90-22ad-4cff-8ee6-389fe61e05cc Environmental → Air → Aircraft cruise height EF 3.1 kg 2
42264854-4f9e-4156-a78e-0792032ae815 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f3968a70-340a-4caf-8746-e7819bcc4643 Environmental → Air → Indoor EF 3.1 kg 2
eb89600b-4aa6-4549-aac0-298594f00fc5 Environmental → Air → Long-term EF 3.1 kg 0
cb28b194-c352-46f4-824b-f1dd9cac0d37 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e5db8d2d-5d95-49e1-ad2f-e6b7b5af3739 Environmental → Air → Unknown EF 3.1 kg 2
c8362ea9-2469-4d08-a4f7-900e8e9a62ea Environmental → Ground → Agricultural EF 3.1 kg 2
8f449ed0-f038-448b-ae06-8ae9d091fa17 Environmental → Ground → Non-agricultural EF 3.1 kg 2
74c538a0-55fb-4c64-ac01-33738dd73aa3 Environmental → Ground → Unknown EF 3.1 kg 2
9540d267-c30b-49e9-b992-447f1680ec68 Environmental → Water → Long-term EF 3.1 kg 0
a14b0ec6-0cc0-4073-84c3-cd37ad994e59 Environmental → Water → Ocean EF 3.1 kg 2
7b5295f0-3535-4318-82f2-d40026ba8162 Environmental → Water → Surface water EF 3.1 kg 2
902aa258-e96e-4957-8a26-b7c8a29ffac0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-91a405a66585b36c",
  "prefLabel": [
    {
      "@value": "2,3-epoxypropyl Neodecanoate",
      "@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": "1-Propanol, 2,3-epoxy-, neodecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cardura E 10",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cardura E 10J",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cardura E 10P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cardura E 10S",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cardura N 10",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Erisys GS 110",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycidyl neodecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycidyl versatate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glydexx N 10",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Heloxy 11",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neodecanoic acid, 2,3-epoxypropyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neodecanoic acid, 2-oxiranylmethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neodecanoic acid, oxiranylmethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Shigena 10P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Shigena TM 10",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vinnol 15/45",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H24O3"
      ],
      "attested_by": {
        "C13H24O3": [
          "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:33600",
            "CID:92169848"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)CCCCCC(=O)OCC1CO1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FIWHJQPAGLNURC-UHFFFAOYSA-N",
        "QQWAKSKPSOFJFF-NSHDSACASA-N"
      ],
      "attested_by": {
        "QQWAKSKPSOFJFF-NSHDSACASA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "FIWHJQPAGLNURC-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:33600",
            "CID:92169848"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)CCCCCC(=O)OCC1CO1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)(C)CCCCCC(=O)OCC1CO1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,3-epoxypropyl Neodecanoate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)CCCCCC(=O)OCC1CO1"
          ]
        }
      ],
      "attested_by": {
        "CC(C)(C)CCCCCC(=O)OCC1CO1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C13H24O3/c1-13(2,3)8-6-4-5-7-12(14)16-10-11-9-15-11/h11H,4-10H2,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,3-epoxypropyl Neodecanoate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)CCCCCC(=O)OCC1CO1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C13H24O3/c1-13(2,3)8-6-4-5-7-12(14)16-10-11-9-15-11/h11H,4-10H2,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,3-epoxypropyl Neodecanoate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,3-epoxypropyl Neodecanoate"
        ]
      },
      "attested_by": {
        "2,3-epoxypropyl Neodecanoate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.465.556A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:33600;CAS:26761-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26761-45-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.043.603",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:33600;CAS:26761-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26761-45-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "26761-45-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20275056",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:33600;CAS:26761-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26761-45-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5V72X484L7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:33600;CAS:26761-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26761-45-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/33600",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:33600;CAS:26761-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[26761-45-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/92169848",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92169848;CAS:26761-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[26761-45-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27262920",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:33600;CAS:26761-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26761-45-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "42264854-4f9e-4156-a78e-0792032ae815",
    "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": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "26761-45-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=26761-45-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "247-979-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=247-979-2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.