← Back to consensus flows

Menthane, Monohydroperoxy Derivative

UUID 53af0c35-aeab-4df8-a852-445afdbc0c70
Flow Object IDfo-f92412c64087bdbe
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 26762-92-5
EC Numbers 247-987-6
prefLabel
Language Value Provenance
en Menthane, Monohydroperoxy Derivative
altLabel
Language Value Provenance
en <em>p</em>-Menthyl hydroperoxide
en Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.
References
Shared Properties
Predicate Value
InChIKey OZTWDFWAMMUDHQ-GUBZILKMSA-N, OZTWDFWAMMUDHQ-UHFFFAOYSA-N
InChI InChI=1S/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3, InChI=1S/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
IUPAC name (1S,2S,4S)-2-(dioxidanyl)-4-methyl-1-propan-2-yl-cyclohexane, (1S,2S,4S)-2-hydroperoxy-1-isopropyl-4-methyl-cyclohexane, (1S,2S,4S)-2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane, 2-(dioxidanyl)-4-methyl-1-propan-2-yl-cyclohexane, 2-hydroperoxy-1-isopropyl-4-methyl-cyclohexane, 2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane
Molecular formula C10H20O2
SMILES CC1CCC(C(C1)OO)C(C)C, C[C@H]1CC[C@H]([C@H](C1)OO)C(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 53af0c35-aeab-4df8-a852-445afdbc0c70 menthane, monohydroperoxy derivative

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 menthane, monohydroperoxy derivative Emissions/Emissions to water/Emissions to sea water 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=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
cas_match_labels 1 consensus_match group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '<em>p</em>-Menthyl hydroperoxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26762-92-5', 'https://commonchemistry.cas.org/detail?cas_rn=26762-92-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:26762-92-5', 'https://commonchemistry.cas.org/detail?cas_rn=26762-92-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
cas_match_labels None {'26762-92-5': 'exactMatch'} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "53af0c35-aeab-4df8-a852-445afdbc0c70",
  "name": null,
  "cas_numbers": [
    "26762-92-5"
  ],
  "ec_numbers": [
    "247-987-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "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": 0.050942
    },
    {
      "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": 0.050942
    }
  ],
  "source": "EF 3.1",
  "identifier": "53af0c35-aeab-4df8-a852-445afdbc0c70",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "53af0c35-aeab-4df8-a852-445afdbc0c70",
      "source_flow_name": "menthane, monohydroperoxy derivative",
      "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 water",
          "Emissions to sea water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Menthane, Monohydroperoxy Derivative",
      "@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-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H20O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329",
          "CID:99123364"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "OZTWDFWAMMUDHQ-GUBZILKMSA-N",
        "OZTWDFWAMMUDHQ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329",
          "CID:99123364"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1CCC(C(C1)OO)C(C)C",
        "C[C@H]1CC[C@H]([C@H](C1)OO)C(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329",
          "CID:99123364"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3",
        "InChI=1S/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329",
          "CID:99123364"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(1S,2S,4S)-2-(dioxidanyl)-4-methyl-1-propan-2-yl-cyclohexane",
        "(1S,2S,4S)-2-hydroperoxy-1-isopropyl-4-methyl-cyclohexane",
        "(1S,2S,4S)-2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane",
        "2-(dioxidanyl)-4-methyl-1-propan-2-yl-cyclohexane",
        "2-hydroperoxy-1-isopropyl-4-methyl-cyclohexane",
        "2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329",
          "CID:99123364"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J156.179K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329;CAS:26762-92-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26762-92-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.043.610",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329;CAS:26762-92-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26762-92-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.048.786",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329;CAS:26762-92-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26762-92-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.049.655",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329;CAS:26762-92-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26762-92-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=26762-92-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "26762-92-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=37837-09-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329;CAS:26762-92-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26762-92-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=39811-34-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329;CAS:26762-92-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26762-92-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40865317",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329;CAS:26762-92-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26762-92-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/117329",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329;CAS:26762-92-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[26762-92-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/99123364",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99123364;CAS:26762-92-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[26762-92-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q15634273",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:117329;CAS:26762-92-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[26762-92-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "<em>p</em>-Menthyl hydroperoxide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26762-92-5",
          "https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26762-92-5",
          "https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "26762-92-5": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/53af0c35-aeab-4df8-a852-445afdbc0c70",
        "skos:prefLabel": "menthane, monohydroperoxy derivative",
        "context": "Emissions/Emissions to water/Emissions to sea water",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/53af0c35-aeab-4df8-a852-445afdbc0c70"
      },
      "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-f92412c64087bdbe"
}