Bis(2,3,3,4,5,5-hexamethylhaxan2yl) trisulfane

← Back to consensus flows

Bis(2,3,3,4,5,5-hexamethylhaxan2yl) trisulfane

UUID b1d3f99f-2252-407a-9ef6-86c823109327

Flow Object ID fo-e3c960e36f370f7a

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 68425-15-0

EC Numbers 270-335-7

prefLabel

Language	Value	Provenance
`en`	`Bis(2,3,3,4,5,5-hexamethylhaxan2yl) trisulfane`

altLabel ⓘ

Language	Value	Provenance
`en`	`DTPS`
`en`	`DTPS (polysulfide)`
`en`	`Poly(thio), α,ω-di-<em>tert</em>-dodecyl-`
`en`	`Polysulfides, di-<em>tert</em>-dodecyl`
`en`	`TDPS 532`
`en`	`Polysulfides, Di-tert-dodecyl`

References

Shared Properties

Predicate	Value
InChIKey	`AWSNFBCZTJENAR-UHFFFAOYSA-N`
InChI	`InChI=1S/C24H50S3/c1-17(19(3,4)5)21(9,10)23(13,14)25-27-26-24(15,16)22(11,12)18(2)20(6,7)8/h17-18H,1-16H3`
IUPAC name	`2-(1,1,2,2,3,4,4-heptamethylpentyltrisulfanyl)-2,3,3,4,5,5-hexamethyl-hexane, 2-(2,3,3,4,5,5-hexamethylhexan-2-yltrisulfanyl)-2,3,3,4,5,5-hexamethyl-hexane, 2-(2,3,3,4,5,5-hexamethylhexan-2-yltrisulfanyl)-2,3,3,4,5,5-hexamethylhexane`
Molecular formula	`C24H50S3`
SMILES	`CC(C(C)(C)C)C(C)(C)C(C)(C)SSSC(C)(C)C(C)(C)C(C)C(C)(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`b1d3f99f-2252-407a-9ef6-86c823109327`	polysulfides, di-tert-dodecyl

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	polysulfides, di-tert-dodecyl	Emissions/Emissions to air/Emissions to air, indoor	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=polysulfides,di-tert-dodecyl\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=68425-15-0; added Common Chemistry CAS names as altLabel: DTPS, DTPS (polysulfide), Poly(thio), α,ω-di-<em>tert</em>-dodecyl-, Polysulfides, di-<em>tert</em>-dodecyl, TDPS 532; object_uuid=fo-e3c960e36f370f7a
`cas_match_labels`	1	`—`	consensus_match	group_key=polysulfides,di-tert-dodecyl\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68425-15-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e3c960e36f370f7a: {'68425-15-0': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'DTPS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68425-15-0', 'https://commonchemistry.cas.org/detail?cas_rn=68425-15-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DTPS (polysulfide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68425-15-0', 'https://commonchemistry.cas.org/detail?cas_rn=68425-15-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Poly(thio), α,ω-di-<em>tert</em>-dodecyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68425-15-0', 'https://commonchemistry.cas.org/detail?cas_rn=68425-15-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Polysulfides, di-<em>tert</em>-dodecyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68425-15-0', 'https://commonchemistry.cas.org/detail?cas_rn=68425-15-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TDPS 532', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68425-15-0', 'https://commonchemistry.cas.org/detail?cas_rn=68425-15-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=polysulfides,di-tert-dodecyl\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=68425-15-0; added Common Chemistry CAS names as altLabel: DTPS, DTPS (polysulfide), Poly(thio), α,ω-di-<em>tert</em>-dodecyl-, Polysulfides, di-<em>tert</em>-dodecyl, TDPS 532; object_uuid=fo-e3c960e36f370f7a
`cas_match_labels`	`None`	`{'68425-15-0': 'exactMatch'}`	group_key=polysulfides,di-tert-dodecyl\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68425-15-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e3c960e36f370f7a: {'68425-15-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "b1d3f99f-2252-407a-9ef6-86c823109327",
  "name": null,
  "cas_numbers": [
    "68425-15-0"
  ],
  "ec_numbers": [
    "270-335-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "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": 0.00066271
    },
    {
      "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": 0.000014176
    },
    {
      "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": 0.000014176
    },
    {
      "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": 0.00066271
    }
  ],
  "source": "EF 3.1",
  "identifier": "b1d3f99f-2252-407a-9ef6-86c823109327",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "b1d3f99f-2252-407a-9ef6-86c823109327",
      "source_flow_name": "polysulfides, di-tert-dodecyl",
      "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, indoor"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Bis(2,3,3,4,5,5-hexamethylhaxan2yl) trisulfane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68425-15-0",
          "CID:24180703"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "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": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-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": [
        "C24H50S3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24180703"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "AWSNFBCZTJENAR-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24180703"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C(C)(C)C)C(C)(C)C(C)(C)SSSC(C)(C)C(C)(C)C(C)C(C)(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24180703"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C24H50S3/c1-17(19(3,4)5)21(9,10)23(13,14)25-27-26-24(15,16)22(11,12)18(2)20(6,7)8/h17-18H,1-16H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24180703"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-(1,1,2,2,3,4,4-heptamethylpentyltrisulfanyl)-2,3,3,4,5,5-hexamethyl-hexane",
        "2-(2,3,3,4,5,5-hexamethylhexan-2-yltrisulfanyl)-2,3,3,4,5,5-hexamethyl-hexane",
        "2-(2,3,3,4,5,5-hexamethylhexan-2-yltrisulfanyl)-2,3,3,4,5,5-hexamethylhexane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24180703"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=68425-15-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "68425-15-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6058681",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24180703;CAS:68425-15-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68425-15-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/24180703",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24180703;CAS:68425-15-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[68425-15-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82003525",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24180703;CAS:68425-15-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68425-15-0]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "DTPS",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68425-15-0",
          "https://commonchemistry.cas.org/detail?cas_rn=68425-15-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DTPS (polysulfide)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68425-15-0",
          "https://commonchemistry.cas.org/detail?cas_rn=68425-15-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Poly(thio), α,ω-di-<em>tert</em>-dodecyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68425-15-0",
          "https://commonchemistry.cas.org/detail?cas_rn=68425-15-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Polysulfides, di-<em>tert</em>-dodecyl",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68425-15-0",
          "https://commonchemistry.cas.org/detail?cas_rn=68425-15-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TDPS 532",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68425-15-0",
          "https://commonchemistry.cas.org/detail?cas_rn=68425-15-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Polysulfides, Di-tert-dodecyl",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "b1d3f99f-2252-407a-9ef6-86c823109327"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "68425-15-0": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/b1d3f99f-2252-407a-9ef6-86c823109327",
        "skos:prefLabel": "polysulfides, di-tert-dodecyl",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/b1d3f99f-2252-407a-9ef6-86c823109327"
      },
      "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-e3c960e36f370f7a"
}