3,3'-[methylenebis(oxymethylene)]diheptane

← Back to consensus flows

3,3'-[methylenebis(oxymethylene)]diheptane

UUID a35d523c-d327-4cae-9786-1b1d8c7da309

Deprecated yes

Replaced By 3415a658-f73c-4591-b8d9-a0749b405d48

Flow Object ID fo-036ad8a1c2bcc07d

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 22174-70-5

EC Numbers 244-815-1

prefLabel

Language	Value	Provenance
`en`	`3,3'-[methylenebis(oxymethylene)]diheptane`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Ethylhexylal`
`en`	`3,3′-[Methylenebis(oxymethylene)]bis[heptane]`
`en`	`Heptane, 3,3′-[methylenebis(oxymethylene)]bis-`
`en`	`Methane, bis[(2-ethylhexyl)oxy]-`

References

Shared Properties

Predicate	Value
InChIKey	`MCRQMTJKYFYOOH-UHFFFAOYSA-N, QPIWJVQXEMCELO-UHFFFAOYSA-N`
InChI	`InChI=1S/C15H9F2NO/c16-10-6-11(17)15-13(7-10)18-12(8-14(15)19)9-4-2-1-3-5-9/h1-8H,(H,18,19), InChI=1S/C17H36O2/c1-5-9-11-16(7-3)13-18-15-19-14-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3`
IUPAC name	`3-(2-ethylhexoxymethoxymethyl)heptane, 5,7-bis(fluoranyl)-2-phenyl-1H-quinolin-4-one, 5,7-difluoro-2-phenyl-1H-quinolin-4-one, 5,7-difluoro-2-phenyl-4-quinolone`
Molecular formula	`C15H9F2NO, C17H36O2`
SMILES	`C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3F)F, CCCCC(CC)COCOCC(CC)CCCC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`a35d523c-d327-4cae-9786-1b1d8c7da309`	3,3'-[methylenebis(oxymethylene)]diheptane

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=3,3'-[methylenebis(oxymethylene)]diheptane\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=22174-70-5; added Common Chemistry CAS names as altLabel: 2-Ethylhexylal, 3,3′-[Methylenebis(oxymethylene)]bis[heptane], Heptane, 3,3′-[methylenebis(oxymethylene)]bis-, Methane, bis[(2-ethylhexyl)oxy]-; object_uuid=fo-036ad8a1c2bcc07d
`cas_match_labels`	1	`—`	consensus_match	group_key=3,3'-[methylenebis(oxymethylene)]diheptane\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'22174-70-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-036ad8a1c2bcc07d: {'22174-70-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-Ethylhexylal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22174-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=22174-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3′-[Methylenebis(oxymethylene)]bis[heptane]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22174-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=22174-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Heptane, 3,3′-[methylenebis(oxymethylene)]bis-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22174-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=22174-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methane, bis[(2-ethylhexyl)oxy]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22174-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=22174-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3,3'-[methylenebis(oxymethylene)]diheptane\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=22174-70-5; added Common Chemistry CAS names as altLabel: 2-Ethylhexylal, 3,3′-[Methylenebis(oxymethylene)]bis[heptane], Heptane, 3,3′-[methylenebis(oxymethylene)]bis-, Methane, bis[(2-ethylhexyl)oxy]-; object_uuid=fo-036ad8a1c2bcc07d
`cas_match_labels`	`None`	`{'22174-70-5': 'exactMatch'}`	group_key=3,3'-[methylenebis(oxymethylene)]diheptane\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'22174-70-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-036ad8a1c2bcc07d: {'22174-70-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "a35d523c-d327-4cae-9786-1b1d8c7da309",
  "name": null,
  "cas_numbers": [
    "22174-70-5"
  ],
  "ec_numbers": [
    "244-815-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "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": 35.638
    },
    {
      "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": 35.638
    }
  ],
  "source": "EF 3.1",
  "identifier": "a35d523c-d327-4cae-9786-1b1d8c7da309",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "a35d523c-d327-4cae-9786-1b1d8c7da309",
      "source_flow_name": "3,3'-[methylenebis(oxymethylene)]diheptane",
      "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 soil",
          "Emissions to soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "3,3'-[methylenebis(oxymethylene)]diheptane",
      "@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-grou-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": [
        "C15H9F2NO",
        "C17H36O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612",
          "CID:375908"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MCRQMTJKYFYOOH-UHFFFAOYSA-N",
        "QPIWJVQXEMCELO-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612",
          "CID:375908"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3F)F",
        "CCCCC(CC)COCOCC(CC)CCCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612",
          "CID:375908"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C15H9F2NO/c16-10-6-11(17)15-13(7-10)18-12(8-14(15)19)9-4-2-1-3-5-9/h1-8H,(H,18,19)",
        "InChI=1S/C17H36O2/c1-5-9-11-16(7-3)13-18-15-19-14-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612",
          "CID:375908"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-(2-ethylhexoxymethoxymethyl)heptane",
        "5,7-bis(fluoranyl)-2-phenyl-1H-quinolin-4-one",
        "5,7-difluoro-2-phenyl-1H-quinolin-4-one",
        "5,7-difluoro-2-phenyl-4-quinolone"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612",
          "CID:375908"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J285.449J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22174-70-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.040.726",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22174-70-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=22174-70-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22174-70-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00897134",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22174-70-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90327435",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:375908;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22174-70-5]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=656245",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:375908;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22174-70-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/375908",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:375908;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[22174-70-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/89612",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[22174-70-5]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2005409",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:375908;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22174-70-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81987970",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:89612;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22174-70-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82089247",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:375908;CAS:22174-70-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22174-70-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexylal",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:22174-70-5",
          "https://commonchemistry.cas.org/detail?cas_rn=22174-70-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′-[Methylenebis(oxymethylene)]bis[heptane]",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:22174-70-5",
          "https://commonchemistry.cas.org/detail?cas_rn=22174-70-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Heptane, 3,3′-[methylenebis(oxymethylene)]bis-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:22174-70-5",
          "https://commonchemistry.cas.org/detail?cas_rn=22174-70-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methane, bis[(2-ethylhexyl)oxy]-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:22174-70-5",
          "https://commonchemistry.cas.org/detail?cas_rn=22174-70-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "22174-70-5": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:3415a658-f73c-4591-b8d9-a0749b405d48",
  "is_replaced_by_uuid": "3415a658-f73c-4591-b8d9-a0749b405d48",
  "flow_object_id": "fo-036ad8a1c2bcc07d"
}