Consensus flow list

Identity

Type
NeutralMolecule
CAS
17928-28-8
EC
241-867-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RGMZNZABJYWAEC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H30O3Si4/c1-14(2,3)11-17(10,12-15(4,5)6)13-16(7,8)9/h1-10H3
IUPAC name chemrof:IUPAC_name 1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane
Molecular formula chemrof:molecular_formula C10H30O3Si4
Molecular mass chemrof:molecular_mass 310.691
Monoisotopic mass chemrof:monoisotopic_mass 310.127201
SMILES string chemrof:smiles_string C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C

Known URLs

11

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=17928-28-8 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=701944-26-5 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:144342 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.046 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9025669 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S73ZQI0GXM enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.797B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/28838 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1311614 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27288754 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e68df617-3bea-4e09-bce4-63ec12387d01 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cf1a710a-8c6a-4586-b84f-5951c61e2c69 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7e9380d7-7a19-4f16-80a7-920d5ed09ba4 Environmental → Air → Indoor EF 3.1 kg 4
1fff8e4a-063e-4963-9866-d19f2390ef6b Environmental → Air → Long-term EF 3.1 kg 0
2faf6513-4a23-403f-b6dc-636e69a74906 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4daaa4b1-88d6-4890-bbcc-0c73c886db73 Environmental → Air → Unknown EF 3.1 kg 4
86a66eb0-6e90-484b-be8a-4ac2fdef0051 Environmental → Ground → Agricultural EF 3.1 kg 4
ed20e53a-896d-4a56-b8fd-8349daff828b Environmental → Ground → Non-agricultural EF 3.1 kg 4
25fbd788-1659-40af-90d6-9c6e60ddaa45 Environmental → Ground → Unknown EF 3.1 kg 4
459f11a6-bf12-46ba-a02a-3ce8504a8b92 Environmental → Water → Long-term EF 3.1 kg 0
a0f9fbe0-4937-468a-9193-56bca79dc768 Environmental → Water → Ocean EF 3.1 kg 4
fe0d9ede-33c3-4268-ac32-569ece5ab0a6 Environmental → Water → Surface water EF 3.1 kg 4
137f8090-1433-4679-a64a-cd2fc2412de0 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-572bc12d6dc9f2e8",
  "prefLabel": [
    {
      "@value": "1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane",
      "@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": "1,1,1,3,5,5,5-Heptamethyl-3-(trimethylsiloxy)trisiloxane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17928-28-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17928-28-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyltris(trimethylsiloxy)silane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17928-28-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17928-28-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TMF 1.5",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17928-28-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17928-28-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris(trimethylsiloxy)methylsilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17928-28-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17928-28-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisiloxane, 1,1,1,3,5,5,5-heptamethyl-3-(trimethylsiloxy)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17928-28-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17928-28-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisiloxane, 1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17928-28-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17928-28-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H30O3Si4"
      ],
      "attested_by": {
        "C10H30O3Si4": [
          "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:28838"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RGMZNZABJYWAEC-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "RGMZNZABJYWAEC-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:28838"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10H30O3Si4/c1-14(2,3)11-17(10,12-15(4,5)6)13-16(7,8)9/h1-10H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H30O3Si4/c1-14(2,3)11-17(10,12-15(4,5)6)13-16(7,8)9/h1-10H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane"
        ]
      },
      "attested_by": {
        "1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        310.691
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "310.691": [
          "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": [
        310.127201
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "310.127201": [
          "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=J260.797B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28838;CAS:17928-28-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17928-28-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.038.046",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28838;CAS:17928-28-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17928-28-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=17928-28-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "17928-28-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=701944-26-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28838;CAS:17928-28-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17928-28-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9025669",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28838;CAS:17928-28-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17928-28-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S73ZQI0GXM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28838;CAS:17928-28-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17928-28-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/28838",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28838;CAS:17928-28-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[17928-28-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1993",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28838;CAS:17928-28-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17928-28-8]"
      }
    },
    {
      "@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1311614",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28838;CAS:17928-28-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17928-28-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:144342",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28838;CAS:17928-28-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17928-28-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27288754",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28838;CAS:17928-28-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17928-28-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "137f8090-1433-4679-a64a-cd2fc2412de0",
    "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": [
        "17928-28-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=17928-28-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=17928-28-8"
        }
      ],
      "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": [
        "241-867-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=241-867-7"
      ],
      "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.