Di-tert-butyl Sulphide

Substance: fo-dd912831bd18aa44 Neutral molecule
Source: EF 3.1
Unit: kg
Context: Environmental → Ground → Unknown
CAS: 107-47-1
EC: 203-493-2

Dimension: Environmental
Geography: Unknown
Media: Ground

2,2,4,4-Tetramethyl-3-thiapentane
2,2′-Thiobis[2-methylpropane]
2-(tert-Butylsulfanyl)-2-methylpropane
2-tert-Butylsulfanyl-2-methylpropane
tert-Butyl sulfide
Bis(1,1-dimethylethyl) sulfide
Bis(tert-butyl) sulfide
Di-tert-butyl sulfide
Propane, 2,2′-thiobis[2-methyl-

List	Version	Source flow	Name there	Why this flow
EF	3.1	d37557a4-e077-4736-b1c7-9594187de625	di-tert-butyl sulphide	The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Source list	Source flow	Name there	Compartment there	Match	Conversion
EF 3.1	d37557a4-e077-4736-b1c7-9594187de625	di-tert-butyl sulphide	Emissions/Emissions to soil/Emissions to soil, unspecified	exactMatch	—

consensus-flow-list 2
European Commission — JRC 2

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method	Implementation	Category	Place	Factor	Published as
EF 3.1	European Commission — JRC	Ecotoxicity, freshwater	—	2.7655	—
EF 3.1	consensus-flow-list	Ecotoxicity, freshwater	—	2.7655	sole
EF 3.1	European Commission — JRC	Ecotoxicity, freshwater_organics	—	2.7655	—
EF 3.1	consensus-flow-list	Ecotoxicity, freshwater_organics	—	2.7655	sole

This flow in the difference report

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Flow JSON

{
  "altLabel": [
    {
      "@value": "2,2,4,4-Tetramethyl-3-thiapentane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Thiobis[2-methylpropane]",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(tert-Butylsulfanyl)-2-methylpropane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-tert-Butylsulfanyl-2-methylpropane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tert-Butyl sulfide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(1,1-dimethylethyl) sulfide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(tert-butyl) sulfide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Di-tert-butyl sulfide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propane, 2,2′-thiobis[2-methyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-47-1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-47-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H18S"
      ],
      "attested_by": {
        "C8H18S": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:7872"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)SC(C)(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "LNMBCRKRCIMQLW-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "LNMBCRKRCIMQLW-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:7872"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)SC(C)(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)(C)SC(C)(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Di-tert-butyl Sulphide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)SC(C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "CC(C)(C)SC(C)(C)C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Di-tert-butyl Sulphide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)SC(C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Di-tert-butyl Sulphide"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Di-tert-butyl Sulphide"
        ]
      },
      "attested_by": {
        "Di-tert-butyl Sulphide": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        146.299
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)SC(C)(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)SC(C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "146.299": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        146.112922
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)SC(C)(C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)SC(C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "146.112922": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J114.114G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7872;CAS:107-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[107-47-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.003.177",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7872;CAS:107-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[107-47-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=107-47-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7872;CAS:107-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[107-47-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5021887",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7872;CAS:107-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[107-47-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4549",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7872;CAS:107-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[107-47-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U27L6HX2MW",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7872;CAS:107-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[107-47-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7872",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7872;CAS:107-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[107-47-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q63409482",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7872;CAS:107-47-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[107-47-1]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Di-tert-butyl Sulphide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "d37557a4-e077-4736-b1c7-9594187de625",
  "identifier": "d37557a4-e077-4736-b1c7-9594187de625",
  "source": "EF 3.1",
  "cas_numbers": [
    "107-47-1"
  ],
  "ec_numbers": [
    "203-493-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "synonyms": [],
  "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": 2.7655
    },
    {
      "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": 2.7655
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-dd912831bd18aa44",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/d37557a4-e077-4736-b1c7-9594187de625",
        "skos:prefLabel": "di-tert-butyl sulphide",
        "context": "Emissions/Emissions to soil/Emissions to soil, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/d37557a4-e077-4736-b1c7-9594187de625"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/d37557a4-e077-4736-b1c7-9594187de625"
      },
      "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"
        ]
      }
    }
  ],
  "_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": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "strip_catalogue_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "107-47-1": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "di-tert-butyl sulphide",
    "synonyms": [
      "2,2'-thiobis(2-methylpropane)",
      "2,2,4,4-Tetramethyl-3-thiapentane",
      "2-tert-butylsulfanyl-2-methylpropane",
      "AC1L1PQU",
      "AC1Q7DS6",
      "B0807",
      "DI-T-BUTYLSULFIDE",
      "Di-tert-butyl sulfide",
      "Propane, 2,2'-thiobis(2-methyl-",
      "Propane, 2,2'-thiobis[2-methyl-",
      "tert-Butyl sulfide",
      "tert-Butyl sulfide (8CI)"
    ],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to soil, unspecified"
    ],
    "cas_numbers": [
      "107-47-1"
    ],
    "ec_numbers": [
      "203-493-2"
    ],
    "unit": "kg"
  }
}

Di-tert-butyl Sulphide

Identity

Context

Alternative labels

Source lists

Concept associations

Characterisation factors

History

Full record

Keyboard