← Back to consensus flow objects
2,3-dimethylhexane
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 08a91e70-3ddc-11dd-9177-0050c2490048 |
Properties
| Predicate | Value |
|---|---|
| Formal charge |
0
|
| InChIKey |
JXPOLSKBTUYKJB-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
|
| IUPAC name |
2,3-dimethylhexane
|
| Molecular formula |
C8H18
|
| Molecular mass |
114.232
|
| Monoisotopic mass |
114.14085, 114.140851
|
| SMILES |
CCCC(C)C(C)C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.423J
- https://chem.echa.europa.eu/100.008.681
- https://commonchemistry.cas.org/detail?cas_rn=584-94-1
- https://comptox.epa.gov/dashboard/DTXSID40862240
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=74170
- https://en.wikipedia.org/wiki/2,3-Dimethylhexane
- https://hmdb.ca/metabolites/HMDB0037617
- https://pubchem.ncbi.nlm.nih.gov/compound/11447
- https://www.chemspider.com/Chemical-Structure.21427474.html
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173398
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47837
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5306
- https://www.wikidata.org/wiki/Q2813777
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
0d7a61fd… |
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 |
0d7a61fb… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 0 | 2 |
0d7a61fe… |
EF 3.1 | kg | Environmental → Ground → Unknown | 0 | 2 |
0d7a61ff… |
EF 3.1 | kg | Environmental → Water → Ocean | 0 | 2 |
0d7a61fc… |
EF 3.1 | kg | Environmental → Water → Surface water | 0 | 2 |
0d7a6201… |
EF 3.1 | kg | Environmental → Water → Unknown | 0 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
08a91e70… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
08a91e70… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
08a91e70… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
08a91e70… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
08a91e70… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
0d7a61fb… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
0d7a61fb… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
0d7a61fc… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
0d7a61fc… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
0d7a61fd… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
0d7a61fd… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
0d7a61fe… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
0d7a61fe… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
0d7a61ff… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
0d7a61ff… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
0d7a6200… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
0d7a6200… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
0d7a6201… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
0d7a6201… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
0d7a6202… |
altLabel |
— |
[{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d |
0d7a6202… |
cas_match_labels |
— |
{"584-94-1":"exactMatch"} |
group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-6876a4d88957d67d",
"prefLabel": [
{
"@value": "2,3-dimethylhexane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "(±)-2,3-Dimethylhexane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
},
{
"@value": "Hexane, 2,3-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
},
{
"@value": "NSC 74170",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H18"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCC(C)C(C)C"
],
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3"
],
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"JXPOLSKBTUYKJB-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C(C)C"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
"114.232"
],
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C(C)C"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
"114.14085",
"114.140851"
],
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C(C)C"
]
}
]
},
"https://w3id.org/chemrof/formal_charge": {
"@id": "https://w3id.org/chemrof/formal_charge",
"@value": [
"0"
],
"rdfs:label": "Formal charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2,3-dimethylhexane"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.423J",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447;CAS:584-94-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-94-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.008.681",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447;CAS:584-94-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-94-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=584-94-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID40862240",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447;CAS:584-94-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-94-1]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=74170",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447;CAS:584-94-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-94-1]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/2,3-Dimethylhexane",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447;CAS:584-94-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-94-1]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0037617",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11447",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447;CAS:584-94-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[584-94-1]"
}
},
{
"@id": "https://www.chemspider.com/Chemical-Structure.21427474.html",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173398",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_173398"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47837",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447;CAS:584-94-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-94-1]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5306",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447;CAS:584-94-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-94-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q2813777",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11447;CAS:584-94-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-94-1]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "08a91e70-3ddc-11dd-9177-0050c2490048",
"seed_source": "EF 3.1"
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"584-94-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=584-94-1"
],
"skos:exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=584-94-1"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"209-547-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=209-547-1"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null
}