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Propylsilanetriyl Triacetate

fo-df430f3321a61d51

Identity

Type
Neutral molecule
CAS
17865-07-5
EC
241-816-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Propylsilanetriyl Triacetate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DKGZKEKMWBGTIB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string 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 chemrof:IUPAC_name Propylsilanetriyl Triacetate
Molecular formula chemrof:molecular_formula C9H16O6Si
Molecular mass chemrof:molecular_mass 248.307
Monoisotopic mass chemrof:monoisotopic_mass 248.071615
SMILES string chemrof:smiles_string CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O

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=17865-07-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.000 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0044608 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/46686Z3A9F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.772G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87339 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27258907 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
00ec8c9b-d165-4f04-a061-4baf0df53810 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
229a0124-ffc0-47a7-8a79-fa4fe6d6cff8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1f598ea1-49c7-40cb-a86c-b1a818b786b7 Environmental → Air → Indoor EF 3.1 kg 2
db5158cc-7509-4d89-924e-a1cb75868f96 Environmental → Air → Long-term EF 3.1 kg 0
5e0d6a0c-1987-4b5c-b187-9b56e612dc88 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c22bfaf4-1124-43a2-8817-e9f5bdab03a9 Environmental → Air → Unknown EF 3.1 kg 2
849878d1-69f5-439a-b707-16230df4e0ee Environmental → Ground → Agricultural EF 3.1 kg 2
e0b764a0-34ce-40f8-b8e6-65c2e3dac4ed Environmental → Ground → Non-agricultural EF 3.1 kg 2
bc856f7a-ed71-4499-b139-b11130a6039e Environmental → Ground → Unknown EF 3.1 kg 2
5c405326-d6be-44a0-a4e8-3e4bbe43a4f1 Environmental → Water → Long-term EF 3.1 kg 0
612d7bdb-523d-4838-adb6-23808aab473f Environmental → Water → Ocean EF 3.1 kg 2
9979a11d-8cb9-44b8-8dbb-56cac815033e Environmental → Water → Surface water EF 3.1 kg 2
b4866789-7ef5-44c5-9982-088790939740 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-df430f3321a61d51",
  "prefLabel": [
    {
      "@value": "Propylsilanetriyl Triacetate",
      "@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": "Propyltriacetoxysilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:17865-07-5",
          "EF 3.1",
          "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",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=17865-07-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silanetriol, propyl-, triacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=17865-07-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C9H16O6Si"
      ],
      "attested_by": {
        "C9H16O6Si": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
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    },
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          ]
        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
      "provenance": [
        {
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          ]
        },
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          "prov:hadPrimarySource": [
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          ]
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3"
      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Propylsilanetriyl Triacetate": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC[Si](OC(=O)C)(OC(=O)C)OC(=O)C"
          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        }
      ],
      "attested_by": {
        "248.307": [
          "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": [
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      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O"
          ]
        }
      ],
      "attested_by": {
        "248.071615": [
          "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=J260.772G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
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    },
    {
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      "provenance": {
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    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[17865-07-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27258907",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[17865-07-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "00ec8c9b-d165-4f04-a061-4baf0df53810",
    "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": {
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      "@value": [
        "17865-07-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=17865-07-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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