2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-

← Back to consensus flows

2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-

UUID 836c8d3c-961d-43d8-a00d-ec09b2c18f22

Flow Object ID fo-256aa90850dc6820

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 163802-53-7

EC Numbers 642-902-2

prefLabel

Language	Value	Provenance
`en`	`2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2<em>E</em>,4<em>E</em>)-`
`en`	`2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (<em>E</em>,<em>E</em>)-`
`en`	`3-(Trimethoxysilyl)propyl (2<em>E</em>,4<em>E</em>)-2,4-hexadienoate`
`en`	`3-(trimethoxysilyl)propyl (2e,4e)-hexa-2,4-dienoate`

References

Shared Properties

Predicate	Value
InChIKey	`BEEJHAQLEWGNOO-SBIWHPGTSA-N`
InChI	`InChI=1S/C12H22O5Si/c1-5-6-7-9-12(13)17-10-8-11-18(14-2,15-3)16-4/h5-7,9H,8,10-11H2,1-4H3/b6-5+,9-7+`
IUPAC name	`(2E,4E)-hexa-2,4-dienoic acid 3-trimethoxysilylpropyl ester, 3-trimethoxysilylpropyl (2E,4E)-hexa-2,4-dienoate`
Molecular formula	`C12H22O5Si`
SMILES	`C/C=C/C=C/C(=O)OCCC[Si](OC)(OC)OC, CC=CC=CC(=O)OCCC[Si](OC)(OC)OC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`836c8d3c-961d-43d8-a00d-ec09b2c18f22`	3-(trimethoxysilyl)propyl (2e,4e)-hexa-2,4-dienoate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-(trimethoxysilyl)propyl (2e,4e)-hexa-2,4-dienoate	Emissions/Emissions to air/Emissions to urban air close to ground	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=3-(trimethoxysilyl)propyl(2e,4e)-hexa-2,4-dienoate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=163802-53-7; added Common Chemistry CAS names as altLabel: 2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2<em>E</em>,4<em>E</em>)-, 2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (<em>E</em>,<em>E</em>)-, 3-(Trimethoxysilyl)propyl (2<em>E</em>,4<em>E</em>)-2,4-hexadienoate; object_uuid=fo-256aa90850dc6820
`cas_match_labels`	1	`—`	consensus_match	group_key=3-(trimethoxysilyl)propyl(2e,4e)-hexa-2,4-dienoate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'163802-53-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-256aa90850dc6820: {'163802-53-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2<em>E</em>,4<em>E</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:163802-53-7', 'https://commonchemistry.cas.org/detail?cas_rn=163802-53-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (<em>E</em>,<em>E</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:163802-53-7', 'https://commonchemistry.cas.org/detail?cas_rn=163802-53-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(Trimethoxysilyl)propyl (2<em>E</em>,4<em>E</em>)-2,4-hexadienoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:163802-53-7', 'https://commonchemistry.cas.org/detail?cas_rn=163802-53-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-(trimethoxysilyl)propyl(2e,4e)-hexa-2,4-dienoate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=163802-53-7; added Common Chemistry CAS names as altLabel: 2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2<em>E</em>,4<em>E</em>)-, 2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (<em>E</em>,<em>E</em>)-, 3-(Trimethoxysilyl)propyl (2<em>E</em>,4<em>E</em>)-2,4-hexadienoate; object_uuid=fo-256aa90850dc6820
`cas_match_labels`	`None`	`{'163802-53-7': 'exactMatch'}`	group_key=3-(trimethoxysilyl)propyl(2e,4e)-hexa-2,4-dienoate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'163802-53-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-256aa90850dc6820: {'163802-53-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "836c8d3c-961d-43d8-a00d-ec09b2c18f22",
  "name": null,
  "cas_numbers": [
    "163802-53-7"
  ],
  "ec_numbers": [
    "642-902-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 37.208
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 37.208
    }
  ],
  "source": "EF 3.1",
  "identifier": "836c8d3c-961d-43d8-a00d-ec09b2c18f22",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "836c8d3c-961d-43d8-a00d-ec09b2c18f22",
      "source_flow_name": "3-(trimethoxysilyl)propyl (2e,4e)-hexa-2,4-dienoate",
      "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 urban air close to ground"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:163802-53-7",
          "CID:58361202"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "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": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H22O5Si"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BEEJHAQLEWGNOO-SBIWHPGTSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C/C=C/C=C/C(=O)OCCC[Si](OC)(OC)OC",
        "CC=CC=CC(=O)OCCC[Si](OC)(OC)OC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H22O5Si/c1-5-6-7-9-12(13)17-10-8-11-18(14-2,15-3)16-4/h5-7,9H,8,10-11H2,1-4H3/b6-5+,9-7+"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(2E,4E)-hexa-2,4-dienoic acid 3-trimethoxysilylpropyl ester",
        "3-trimethoxysilylpropyl (2E,4E)-hexa-2,4-dienoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.204.839K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202;CAS:163802-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[163802-53-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.170.723",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202;CAS:163802-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[163802-53-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=163802-53-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202;CAS:163802-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[163802-53-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID30889042",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202;CAS:163802-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[163802-53-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/58361202",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202;CAS:163802-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[163802-53-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q76754242",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:58361202;CAS:163802-53-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[163802-53-7]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2<em>E</em>,4<em>E</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:163802-53-7",
          "https://commonchemistry.cas.org/detail?cas_rn=163802-53-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (<em>E</em>,<em>E</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:163802-53-7",
          "https://commonchemistry.cas.org/detail?cas_rn=163802-53-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Trimethoxysilyl)propyl (2<em>E</em>,4<em>E</em>)-2,4-hexadienoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:163802-53-7",
          "https://commonchemistry.cas.org/detail?cas_rn=163802-53-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(trimethoxysilyl)propyl (2e,4e)-hexa-2,4-dienoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "836c8d3c-961d-43d8-a00d-ec09b2c18f22"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "163802-53-7": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/836c8d3c-961d-43d8-a00d-ec09b2c18f22",
        "skos:prefLabel": "3-(trimethoxysilyl)propyl (2e,4e)-hexa-2,4-dienoate",
        "context": "Emissions/Emissions to air/Emissions to urban air close to ground",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/836c8d3c-961d-43d8-a00d-ec09b2c18f22"
      },
      "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-256aa90850dc6820"
}