Consensus flow list

Reaction Mass Of Cis-1,4-bis[(vinyloxy)methyl]cyclohexane And Trans-1,4-bis[(vinyloxy)methyl]cyclohexane

fo-ed39c6681253445e

Identity

Type
Neutral molecule
CAS
17351-75-6
EC
413-370-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Reaction Mass Of Cis-1,4-bis[(vinyloxy)methyl]cyclohexane And Trans-1,4-bis[(vinyloxy)methyl]cyclohexane

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DQNSRQYYCSXZDF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2
IUPAC name chemrof:IUPAC_name 1,4-Bis[(ethenyloxy)methyl]cyclohexane
Molecular formula chemrof:molecular_formula C12H20O2
Molecular mass chemrof:molecular_mass 196.29
Monoisotopic mass chemrof:monoisotopic_mass 196.14633
SMILES string chemrof:smiles_string C=COCC1CCC(COC=C)CC1

Known URLs

9

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=151543-64-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=17351-75-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.261 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0044604 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183650 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.099.347B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J468.362E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3437285 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72459686 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a160afa0-3dd4-4a58-82bc-712bb94112ca Environmental → Air → Aircraft cruise height EF 3.1 kg 4
06f69a43-708e-40f2-b3da-f22b20fc0cc7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4a6d861c-ebb7-4956-b60b-cca2910a0597 Environmental → Air → Indoor EF 3.1 kg 4
8514c8c4-35a5-4b48-b1d6-99a9ac14d9ac Environmental → Air → Long-term EF 3.1 kg 0
c3552169-39fb-4133-b720-714c3883daef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
134d36a2-7496-45c6-a9ea-5f69b1ee96f1 Environmental → Air → Unknown EF 3.1 kg 4
35ad5802-a64e-414c-8291-346feb9df59f Environmental → Ground → Agricultural EF 3.1 kg 4
eca4d3c5-db34-47bb-9a20-0b666bf8af61 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a5998e-7b96-4af0-afd4-10bbfa3b41e9 Environmental → Ground → Unknown EF 3.1 kg 4
5b30cf3f-ed95-4656-a570-ffc53d5d1439 Environmental → Water → Long-term EF 3.1 kg 0
4b734090-1e9c-43f6-9bf2-bff6f5e63c23 Environmental → Water → Ocean EF 3.1 kg 4
bb4565b4-a0ac-4d57-a0e4-aa7698b5fe78 Environmental → Water → Surface water EF 3.1 kg 4
0f9e255a-053c-4914-8360-ccac9ecd3400 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-ed39c6681253445e",
  "prefLabel": [
    {
      "@value": "Reaction Mass Of Cis-1,4-bis[(vinyloxy)methyl]cyclohexane And Trans-1,4-bis[(vinyloxy)methyl]cyclohexane",
      "@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": "1,4-Bis[(ethenyloxy)methyl]cyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17351-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Bis[(vinyloxy)methyl]cyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17351-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Cyclohexanedimethanol divinyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17351-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Cyclohexanedimethyl divinyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17351-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CHDVE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17351-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexane, 1,4-bis[(ethenyloxy)methyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17351-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexane, 1,4-bis[(vinyloxy)methyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17351-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rapi-Cure CHVE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17351-75-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H20O2"
      ],
      "attested_by": {
        "C12H20O2": [
          "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:3437285"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=COCC1CCC(COC=C)CC1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DQNSRQYYCSXZDF-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "DQNSRQYYCSXZDF-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:3437285"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=COCC1CCC(COC=C)CC1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C=COCC1CCC(COC=C)CC1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,4-Bis[(ethenyloxy)methyl]cyclohexane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=COCC1CCC(COC=C)CC1"
          ]
        }
      ],
      "attested_by": {
        "C=COCC1CCC(COC=C)CC1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,4-Bis[(ethenyloxy)methyl]cyclohexane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=COCC1CCC(COC=C)CC1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,4-Bis[(ethenyloxy)methyl]cyclohexane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,4-Bis[(ethenyloxy)methyl]cyclohexane"
        ]
      },
      "attested_by": {
        "1,4-Bis[(ethenyloxy)methyl]cyclohexane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        196.29
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=COCC1CCC(CC1)COC=C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=COCC1CCC(COC=C)CC1"
          ]
        }
      ],
      "attested_by": {
        "196.29": [
          "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": [
        196.14633
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=COCC1CCC(CC1)COC=C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=COCC1CCC(COC=C)CC1"
          ]
        }
      ],
      "attested_by": {
        "196.14633": [
          "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=J2.099.347B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3437285;CAS:17351-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J468.362E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3437285;CAS:17351-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.101.261",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3437285;CAS:17351-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=151543-64-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3437285;CAS:17351-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3437285;CAS:17351-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0044604",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3437285;CAS:17351-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3437285",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3437285;CAS:17351-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[17351-75-6]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183650",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3437285;CAS:17351-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72459686",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3437285;CAS:17351-75-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "06f69a43-708e-40f2-b3da-f22b20fc0cc7",
    "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": [
        "17351-75-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
        }
      ],
      "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": [
        "413-370-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=413-370-7"
      ],
      "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.