Consensus flow list

Identity

Type
NeutralMolecule
CAS
18171-19-2
EC
242-056-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for (4-chloro-1,1-dimethoxybutyl)silane

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KNTKCYKJRSMRMZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-chloranylpropyl-dimethoxy-methyl-silane, 3-chloropropyl-dimethoxy-methyl-silane, 3-chloropropyl-dimethoxy-methylsilane
Molecular formula chemrof:molecular_formula C6H15ClO2Si
Molecular mass chemrof:molecular_mass 182.723
Monoisotopic mass chemrof:monoisotopic_mass 182.052984
SMILES string chemrof:smiles_string CO[Si](C)(CCCCl)OC

Known URLs

7

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=18171-19-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.218 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60939463 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FC56FF2SD3 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.278K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87491 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72458061 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
15b0d6dd-4f16-45c4-bb4b-634fd6714920 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
00c50f32-8397-46ae-b0b9-67be4e111631 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c5b67e2f-4e01-43b5-95bb-65d6606f5dc7 Environmental → Air → Indoor EF 3.1 kg 4
fed70067-836e-400e-82c1-f5069c13f7af Environmental → Air → Long-term EF 3.1 kg 0
b6445f79-7da1-4b11-976b-280ed39d348d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
079b275e-4c9d-423a-8c66-d237134c94bd Environmental → Air → Unknown EF 3.1 kg 4
c553714c-5563-4dcf-a623-0a1b700b45f3 Environmental → Ground → Agricultural EF 3.1 kg 4
ab6b7448-fbd3-49b7-b8d6-ee23bf2c9c75 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8588e4ff-c9d7-4f39-bf40-18d4523cdf7b Environmental → Ground → Unknown EF 3.1 kg 4
2eb4b3d9-f6cf-4e81-bb7f-84b9bd306a8e Environmental → Water → Long-term EF 3.1 kg 0
003c8c3e-3bf5-4b54-9283-5db7aef0f654 Environmental → Water → Ocean EF 3.1 kg 4
88caf7c5-f67d-437e-a351-8039ea31a3c1 Environmental → Water → Surface water EF 3.1 kg 4
ca1ca202-af47-49a7-b636-b10e03195893 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-25451a1ba1b90ba1",
  "prefLabel": [
    {
      "@value": "(4-chloro-1,1-dimethoxybutyl)silane",
      "@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": "(3-Chloropropyl)dimethoxymethylsilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18171-19-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(3-Chloropropyl)methyldimethoxysilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18171-19-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(α-Chloropropyl)(dimethoxymethyl)silane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18171-19-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(γ-Chloropropyl)dimethoxymethylsilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18171-19-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(γ-Chloropropyl)methyldimethoxysilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18171-19-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethoxymethyl(3-chloropropyl)silane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18171-19-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sila-Ace S 610",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18171-19-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silane, (3-chloropropyl)dimethoxymethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18171-19-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H15ClO2Si"
      ],
      "attested_by": {
        "C6H15ClO2Si": [
          "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:87491"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CO[Si](C)(CCCCl)OC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KNTKCYKJRSMRMZ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "KNTKCYKJRSMRMZ-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:87491"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CO[Si](C)(CCCCl)OC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CO[Si](C)(CCCCl)OC"
      ],
      "attested_by": {
        "CO[Si](C)(CCCCl)OC": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87491"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CO[Si](C)(CCCCl)OC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3"
      ],
      "attested_by": {
        "InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87491"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CO[Si](C)(CCCCl)OC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-chloranylpropyl-dimethoxy-methyl-silane",
        "3-chloropropyl-dimethoxy-methyl-silane",
        "3-chloropropyl-dimethoxy-methylsilane"
      ],
      "attested_by": {
        "3-chloranylpropyl-dimethoxy-methyl-silane": [
          "enrich_references.pubchem_semantic"
        ],
        "3-chloropropyl-dimethoxy-methyl-silane": [
          "enrich_references.pubchem_semantic"
        ],
        "3-chloropropyl-dimethoxy-methylsilane": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87491"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        182.723
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CO[Si](C)(CCCCl)OC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CO[Si](C)(CCCCl)OC"
          ]
        }
      ],
      "attested_by": {
        "182.723": [
          "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": [
        182.052984
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CO[Si](C)(CCCCl)OC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CO[Si](C)(CCCCl)OC"
          ]
        }
      ],
      "attested_by": {
        "182.052984": [
          "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=J208.278K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87491;CAS:18171-19-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18171-19-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.038.218",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87491;CAS:18171-19-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18171-19-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "18171-19-2"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID60939463",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87491;CAS:18171-19-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18171-19-2]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FC56FF2SD3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87491;CAS:18171-19-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18171-19-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87491",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87491;CAS:18171-19-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[18171-19-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72458061",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87491;CAS:18171-19-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18171-19-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "003c8c3e-3bf5-4b54-9283-5db7aef0f654",
    "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": [
        "18171-19-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=18171-19-2"
        }
      ],
      "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": [
        "242-056-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=242-056-0"
      ],
      "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.