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2,2,5-trimethylhexane

2D structure
Flow Object IDfo-c688d896ba73391c
TypeConsensus
prefLabel
Label Language
2,2,5-trimethylhexane en
Alt Labels
Label Language Provenance
Hexane, 2,2,5-trimethyl- en —
NSC 65657 en —
CAS Numbers 3522-94-9
EC Numbers 222-537-1
Changes Applied24

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow08a91e70-3ddc-11dd-994f-0050c2490048

Properties

Predicate Value
InChIKey HHOSMYBYIHNXNO-UHFFFAOYSA-N
InChI InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3
IUPAC name 2,2,5-trimethylhexane
Molecular formula C9H20
Molecular mass 128.259
Monoisotopic mass 128.156501
SMILES CC(C)CCC(C)(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
1f317294… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 2
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 2
08a91e70… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 2
08a91e70… EF 3.1 kg Environmental → Air → Unknown 0 2
1f317292… EF 3.1 kg Environmental → Ground → Agricultural 0 2
1f317295… EF 3.1 kg Environmental → Ground → Unknown 0 2
1f317296… EF 3.1 kg Environmental → Water → Ocean 0 2
1f317293… EF 3.1 kg Environmental → Water → Surface water 0 2
1f317298… EF 3.1 kg Environmental → Water → Unknown 0 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
08a91e70… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
08a91e70… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
08a91e70… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
08a91e70… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
08a91e70… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
08a91e70… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
08a91e70… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
08a91e70… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
1f317292… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
1f317292… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
1f317293… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
1f317293… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
1f317294… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
1f317294… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
1f317295… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
1f317295… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
1f317296… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
1f317296… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
1f317297… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
1f317297… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
1f317298… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
1f317298… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}
1f317299… altLabel — [{"@value":"Hexane, 2,2,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 65657","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:3522-94-9","https://commonchemistry.cas.org/detail?cas_rn=3522-94-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=3522-94-9; added Common Chemistry CAS names as altLabel: Hexane, 2,2,5-trimethyl-, NSC 65657; object_uuid=fo-c688d896ba73391c
1f317299… cas_match_labels — {"3522-94-9":"exactMatch"} group_key=2,2,5-trimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3522-94-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c688d896ba73391c: {'3522-94-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-c688d896ba73391c",
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      "@value": "2,2,5-trimethylhexane",
      "@language": "en",
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        "prov:wasDerivedFrom": "prefLabel"
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  ],
  "altLabel": [
    {
      "@value": "Hexane, 2,2,5-trimethyl-",
      "@language": "en",
      "@lang": "en",
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    {
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  ],
  "properties": {
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      "@value": [
        "C9H20"
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
        "128.156501"
      ],
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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    {
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