← Back to consensus flows

Propylsilanetriyl Triacetate

UUID db5158cc-7509-4d89-924e-a1cb75868f96
Flow Object IDfo-df430f3321a61d51
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 17865-07-5
EC Numbers 241-816-9
prefLabel
Language Value Provenance
en Propylsilanetriyl Triacetate
altLabel
Language Value Provenance
en Propyltriacetoxysilane
en Silanetriol, 1-propyl-, 1,1,1-triacetate
en Silanetriol, propyl-, triacetate
References
Shared Properties
Predicate Value
InChIKey DKGZKEKMWBGTIB-UHFFFAOYSA-N, PIOKUWLZUXUBCO-UUOKFMHZSA-N
InChI InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1, InChI=1S/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3
IUPAC name [[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, [[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate, [[(2R,3S,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, [[(2R,3S,4R,5R)-5-(6-azanyl-2-fluoranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate, [diacetoxy(propyl)silyl] acetate, [diacetyloxy(propyl)silyl] acetate, [diacetyloxy(propyl)silyl] ethanoate, acetic acid [diacetoxy(propyl)silyl] ester, acetic acid [diacetyloxy(propyl)silyl] ester
Molecular formula C10H15FN5O13P3, C9H16O6Si
SMILES C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N, C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N, CCC[Si](OC(=O)C)(OC(=O)C)OC(=O)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 db5158cc-7509-4d89-924e-a1cb75868f96 propylsilanetriyl triacetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 propylsilanetriyl triacetate Emissions/Emissions to air/Emissions to air, unspecified (long-term) kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=propylsilanetriyltriacetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=17865-07-5; added Common Chemistry CAS names as altLabel: Propyltriacetoxysilane, Silanetriol, 1-propyl-, 1,1,1-triacetate, Silanetriol, propyl-, triacetate; object_uuid=fo-df430f3321a61d51
cas_match_labels 1 consensus_match group_key=propylsilanetriyltriacetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'17865-07-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-df430f3321a61d51: {'17865-07-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Propyltriacetoxysilane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17865-07-5', 'https://commonchemistry.cas.org/detail?cas_rn=17865-07-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Silanetriol, 1-propyl-, 1,1,1-triacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17865-07-5', 'https://commonchemistry.cas.org/detail?cas_rn=17865-07-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Silanetriol, propyl-, triacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17865-07-5', 'https://commonchemistry.cas.org/detail?cas_rn=17865-07-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=propylsilanetriyltriacetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=17865-07-5; added Common Chemistry CAS names as altLabel: Propyltriacetoxysilane, Silanetriol, 1-propyl-, 1,1,1-triacetate, Silanetriol, propyl-, triacetate; object_uuid=fo-df430f3321a61d51
cas_match_labels None {'17865-07-5': 'exactMatch'} group_key=propylsilanetriyltriacetate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'17865-07-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-df430f3321a61d51: {'17865-07-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "db5158cc-7509-4d89-924e-a1cb75868f96",
  "name": null,
  "cas_numbers": [
    "17865-07-5"
  ],
  "ec_numbers": [
    "241-816-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "db5158cc-7509-4d89-924e-a1cb75868f96",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "db5158cc-7509-4d89-924e-a1cb75868f96",
      "source_flow_name": "propylsilanetriyl triacetate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Propylsilanetriyl Triacetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H15FN5O13P3",
        "C9H16O6Si"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339",
          "CID:160578"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DKGZKEKMWBGTIB-UHFFFAOYSA-N",
        "PIOKUWLZUXUBCO-UUOKFMHZSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339",
          "CID:160578"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N",
        "C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N",
        "CCC[Si](OC(=O)C)(OC(=O)C)OC(=O)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339",
          "CID:160578"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1",
        "InChI=1S/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339",
          "CID:160578"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "[[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",
        "[[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",
        "[[(2R,3S,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",
        "[[(2R,3S,4R,5R)-5-(6-azanyl-2-fluoranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",
        "[diacetoxy(propyl)silyl] acetate",
        "[diacetyloxy(propyl)silyl] acetate",
        "[diacetyloxy(propyl)silyl] ethanoate",
        "acetic acid [diacetoxy(propyl)silyl] ester",
        "acetic acid [diacetyloxy(propyl)silyl] ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339",
          "CID:160578"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.097.859G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:160578;CAS:17865-07-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.772G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339;CAS:17865-07-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.038.000",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339;CAS:17865-07-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=17865-07-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "17865-07-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0044608",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339;CAS:17865-07-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID60164197",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:160578;CAS:17865-07-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/46686Z3A9F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339;CAS:17865-07-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/160578",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:160578;CAS:17865-07-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[17865-07-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87339",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339;CAS:17865-07-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[17865-07-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27258907",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87339;CAS:17865-07-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83033247",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:160578;CAS:17865-07-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Propyltriacetoxysilane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17865-07-5",
          "https://commonchemistry.cas.org/detail?cas_rn=17865-07-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silanetriol, 1-propyl-, 1,1,1-triacetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17865-07-5",
          "https://commonchemistry.cas.org/detail?cas_rn=17865-07-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silanetriol, propyl-, triacetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17865-07-5",
          "https://commonchemistry.cas.org/detail?cas_rn=17865-07-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "17865-07-5": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/db5158cc-7509-4d89-924e-a1cb75868f96",
        "skos:prefLabel": "propylsilanetriyl triacetate",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/db5158cc-7509-4d89-924e-a1cb75868f96"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-df430f3321a61d51"
}