← Back to consensus flows

2-methyloctane-2-thiol

UUID a47e80be-033e-4683-b54a-8f410e7d02fb
Flow Object IDfo-84e58f812be59671
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 25360-10-5
EC Numbers 246-896-9
prefLabel
Language Value Provenance
en 2-methyloctane-2-thiol
altLabel
Language Value Provenance
en <em>tert</em>-Nonanethiol
en <em>tert</em>-Nonyl mercaptan
en Sulfole 90
References
Shared Properties
Predicate Value
InChIKey GIHYOCFYKBPKKF-UHFFFAOYSA-N, MPBLPZLNKKGCGP-UHFFFAOYSA-N
InChI InChI=1S/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3, InChI=1S/C9H20S/c1-8(2,3)6-9(4,5)7-10/h10H,6-7H2,1-5H3
IUPAC name 2,2,4,4-tetramethyl-1-pentanethiol, 2,2,4,4-tetramethylpentane-1-thiol, 2-methyl-2-octanethiol, 2-methyloctane-2-thiol
Molecular formula C9H20S
SMILES CC(C)(C)CC(C)(C)CS, CCCCCCC(C)(C)S

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a47e80be-033e-4683-b54a-8f410e7d02fb 2-methyloctane-2-thiol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-methyloctane-2-thiol 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=2-methyloctane-2-thiol||dimension=Environmental > media=Water > water_body=Unknown; cas=25360-10-5; added Common Chemistry CAS names as altLabel: <em>tert</em>-Nonanethiol, <em>tert</em>-Nonyl mercaptan, Sulfole 90; object_uuid=fo-84e58f812be59671
cas_match_labels 1 consensus_match group_key=2-methyloctane-2-thiol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25360-10-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-84e58f812be59671: {'25360-10-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '<em>tert</em>-Nonanethiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25360-10-5', 'https://commonchemistry.cas.org/detail?cas_rn=25360-10-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Nonyl mercaptan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25360-10-5', 'https://commonchemistry.cas.org/detail?cas_rn=25360-10-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sulfole 90', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25360-10-5', 'https://commonchemistry.cas.org/detail?cas_rn=25360-10-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-methyloctane-2-thiol||dimension=Environmental > media=Water > water_body=Unknown; cas=25360-10-5; added Common Chemistry CAS names as altLabel: <em>tert</em>-Nonanethiol, <em>tert</em>-Nonyl mercaptan, Sulfole 90; object_uuid=fo-84e58f812be59671
cas_match_labels None {'25360-10-5': 'exactMatch'} group_key=2-methyloctane-2-thiol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25360-10-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-84e58f812be59671: {'25360-10-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "a47e80be-033e-4683-b54a-8f410e7d02fb",
  "name": null,
  "cas_numbers": [
    "25360-10-5"
  ],
  "ec_numbers": [
    "246-896-9"
  ],
  "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": 5.9253
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.405e-7
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.405e-7
    },
    {
      "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": 5.9253
    }
  ],
  "source": "EF 3.1",
  "identifier": "a47e80be-033e-4683-b54a-8f410e7d02fb",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "a47e80be-033e-4683-b54a-8f410e7d02fb",
      "source_flow_name": "2-methyloctane-2-thiol",
      "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": "2-methyloctane-2-thiol",
      "@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": [
        "C9H20S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106220",
          "CID:520196"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GIHYOCFYKBPKKF-UHFFFAOYSA-N",
        "MPBLPZLNKKGCGP-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106220",
          "CID:520196"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(C)CC(C)(C)CS",
        "CCCCCCC(C)(C)S"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106220",
          "CID:520196"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3",
        "InChI=1S/C9H20S/c1-8(2,3)6-9(4,5)7-10/h10H,6-7H2,1-5H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106220",
          "CID:520196"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,2,4,4-tetramethyl-1-pentanethiol",
        "2,2,4,4-tetramethylpentane-1-thiol",
        "2-methyl-2-octanethiol",
        "2-methyloctane-2-thiol"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106220",
          "CID:520196"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.918.722C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:520196;CAS:25360-10-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[25360-10-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.042.619",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:520196;CAS:25360-10-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[25360-10-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=25360-10-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "25360-10-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40274046",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:520196;CAS:25360-10-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[25360-10-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/168S427F21",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:520196;CAS:25360-10-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[25360-10-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/106220",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:106220;CAS:25360-10-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[25360-10-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/520196",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:520196;CAS:25360-10-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[25360-10-5]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1870953",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:520196;CAS:25360-10-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[25360-10-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27251793",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:520196;CAS:25360-10-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[25360-10-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "<em>tert</em>-Nonanethiol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25360-10-5",
          "https://commonchemistry.cas.org/detail?cas_rn=25360-10-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>tert</em>-Nonyl mercaptan",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25360-10-5",
          "https://commonchemistry.cas.org/detail?cas_rn=25360-10-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfole 90",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25360-10-5",
          "https://commonchemistry.cas.org/detail?cas_rn=25360-10-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "25360-10-5": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/a47e80be-033e-4683-b54a-8f410e7d02fb",
        "skos:prefLabel": "2-methyloctane-2-thiol",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/a47e80be-033e-4683-b54a-8f410e7d02fb"
      },
      "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-84e58f812be59671"
}