3-(4-tert-butylphenyl)acrylaldehyde

← Back to consensus flows

3-(4-tert-butylphenyl)acrylaldehyde

UUID 0c990338-1af8-413e-87b9-cb1ade5ed1e1

Flow Object ID fo-6b247c00309e6594

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 84434-23-1

EC Numbers 282-823-7

prefLabel

Language	Value	Provenance
`en`	`3-(4-tert-butylphenyl)acrylaldehyde`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-`
`en`	`3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal`
`en`	`4-<em>tert</em>-Butylcinnamaldehyde`
`en`	`<em>p</em>-<em>tert</em>-Butylcinnamaldehyde`
`en`	`Cinnamaldehyde, <em>p</em>-<em>tert</em>-butyl-`

References

Shared Properties

Predicate	Value
InChIKey	`ICSATJUWLAEQQU-SNAWJCMRSA-N, ICSATJUWLAEQQU-UHFFFAOYSA-N`
InChI	`InChI=1S/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3, InChI=1S/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3/b5-4+`
IUPAC name	`(E)-3-(4-tert-butylphenyl)-2-propenal, (E)-3-(4-tert-butylphenyl)acrolein, (E)-3-(4-tert-butylphenyl)prop-2-enal, 3-(4-tert-butylphenyl)-2-propenal, 3-(4-tert-butylphenyl)acrolein, 3-(4-tert-butylphenyl)prop-2-enal`
Molecular formula	`C13H16O`
SMILES	`CC(C)(C)C1=CC=C(C=C1)/C=C/C=O, CC(C)(C)C1=CC=C(C=C1)C=CC=O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`0c990338-1af8-413e-87b9-cb1ade5ed1e1`	3-(4-tert-butylphenyl)acrylaldehyde

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-(4-tert-butylphenyl)acrylaldehyde	Emissions/Emissions to air/Emissions to air, unspecified	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-(4-tert-butylphenyl)acrylaldehyde\|\|dimension=Environmental > media=Air > strata=Unknown; cas=84434-23-1; added Common Chemistry CAS names as altLabel: 2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-, 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal, 4-<em>tert</em>-Butylcinnamaldehyde, <em>p</em>-<em>tert</em>-Butylcinnamaldehyde, Cinnamaldehyde, <em>p</em>-<em>tert</em>-butyl-; object_uuid=fo-6b247c00309e6594
`cas_match_labels`	1	`—`	consensus_match	group_key=3-(4-tert-butylphenyl)acrylaldehyde\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'84434-23-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6b247c00309e6594: {'84434-23-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84434-23-1', 'https://commonchemistry.cas.org/detail?cas_rn=84434-23-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84434-23-1', 'https://commonchemistry.cas.org/detail?cas_rn=84434-23-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-<em>tert</em>-Butylcinnamaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84434-23-1', 'https://commonchemistry.cas.org/detail?cas_rn=84434-23-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-<em>tert</em>-Butylcinnamaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84434-23-1', 'https://commonchemistry.cas.org/detail?cas_rn=84434-23-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cinnamaldehyde, <em>p</em>-<em>tert</em>-butyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84434-23-1', 'https://commonchemistry.cas.org/detail?cas_rn=84434-23-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-(4-tert-butylphenyl)acrylaldehyde\|\|dimension=Environmental > media=Air > strata=Unknown; cas=84434-23-1; added Common Chemistry CAS names as altLabel: 2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-, 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal, 4-<em>tert</em>-Butylcinnamaldehyde, <em>p</em>-<em>tert</em>-Butylcinnamaldehyde, Cinnamaldehyde, <em>p</em>-<em>tert</em>-butyl-; object_uuid=fo-6b247c00309e6594
`cas_match_labels`	`None`	`{'84434-23-1': 'exactMatch'}`	group_key=3-(4-tert-butylphenyl)acrylaldehyde\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'84434-23-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6b247c00309e6594: {'84434-23-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "0c990338-1af8-413e-87b9-cb1ade5ed1e1",
  "name": null,
  "cas_numbers": [
    "84434-23-1"
  ],
  "ec_numbers": [
    "282-823-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "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": 158.07
    },
    {
      "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": 158.07
    }
  ],
  "source": "EF 3.1",
  "identifier": "0c990338-1af8-413e-87b9-cb1ade5ed1e1",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "0c990338-1af8-413e-87b9-cb1ade5ed1e1",
      "source_flow_name": "3-(4-tert-butylphenyl)acrylaldehyde",
      "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"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "3-(4-tert-butylphenyl)acrylaldehyde",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "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-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H16O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3019860",
          "CID:6365958"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ICSATJUWLAEQQU-SNAWJCMRSA-N",
        "ICSATJUWLAEQQU-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3019860",
          "CID:6365958"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(C)C1=CC=C(C=C1)/C=C/C=O",
        "CC(C)(C)C1=CC=C(C=C1)C=CC=O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3019860",
          "CID:6365958"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3",
        "InChI=1S/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3/b5-4+"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3019860",
          "CID:6365958"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(E)-3-(4-tert-butylphenyl)-2-propenal",
        "(E)-3-(4-tert-butylphenyl)acrolein",
        "(E)-3-(4-tert-butylphenyl)prop-2-enal",
        "3-(4-tert-butylphenyl)-2-propenal",
        "3-(4-tert-butylphenyl)acrolein",
        "3-(4-tert-butylphenyl)prop-2-enal"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3019860",
          "CID:6365958"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.768.548A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6365958;CAS:84434-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84434-23-1]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J297.681A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6365958;CAS:84434-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84434-23-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.075.270",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6365958;CAS:84434-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84434-23-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=84434-23-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3019860;CAS:84434-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84434-23-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID201268532",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3019860;CAS:84434-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84434-23-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8A6JPK6WSA",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6365958;CAS:84434-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84434-23-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3019860",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3019860;CAS:84434-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[84434-23-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6365958",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6365958;CAS:84434-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[84434-23-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126676142",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3019860;CAS:84434-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84434-23-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q76324399",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6365958;CAS:84434-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84434-23-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84434-23-1",
          "https://commonchemistry.cas.org/detail?cas_rn=84434-23-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84434-23-1",
          "https://commonchemistry.cas.org/detail?cas_rn=84434-23-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-<em>tert</em>-Butylcinnamaldehyde",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84434-23-1",
          "https://commonchemistry.cas.org/detail?cas_rn=84434-23-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>p</em>-<em>tert</em>-Butylcinnamaldehyde",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84434-23-1",
          "https://commonchemistry.cas.org/detail?cas_rn=84434-23-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cinnamaldehyde, <em>p</em>-<em>tert</em>-butyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84434-23-1",
          "https://commonchemistry.cas.org/detail?cas_rn=84434-23-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "84434-23-1": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/0c990338-1af8-413e-87b9-cb1ade5ed1e1",
        "skos:prefLabel": "3-(4-tert-butylphenyl)acrylaldehyde",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/0c990338-1af8-413e-87b9-cb1ade5ed1e1"
      },
      "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-6b247c00309e6594"
}