← Back to consensus flow objects

3,5,5-trimethylhexanal

Flow Object IDfo-a95d2da2f8f894b2
TypeConsensus
prefLabel
Label Language
3,5,5-trimethylhexanal en
Alt Labels
Label Language Provenance
3,5,5-Trimethylcapronaldehyde en —
Hexanal, 3,5,5-trimethyl- en —
NSC 21482 en —
CAS Numbers5435-64-3
EC Numbers226-603-0
Changes Applied26

Properties

Predicate Value
Formal charge 0
InChIKey WTPYRCJDOZVZON-UHFFFAOYSA-N
InChI InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
IUPAC name 3,5,5-trimethylhexanal
Molecular formula C9H18O
Molecular mass 142.242
Monoisotopic mass 142.13577
SMILES CC(CC=O)CC(C)(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
5e53fd65… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
c7a735e7… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
40c16428… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
a0450738… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
0cf5bb53… EF 3.1 kg Environmental → Air → Unknown 4 2
753612c7… EF 3.1 kg Environmental → Air → Unknown 4 2
1612c45a… EF 3.1 kg Environmental → Ground → Agricultural 4 2
8968e2ce… EF 3.1 kg Environmental → Ground → Unknown 4 2
b8e54b39… EF 3.1 kg Environmental → Water → Ocean 4 2
23223086… EF 3.1 kg Environmental → Water → Surface water 4 2
63b5b5b4… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0cf5bb53… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
0cf5bb53… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
1612c45a… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
1612c45a… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
23223086… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
23223086… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
40c16428… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
40c16428… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
5e53fd65… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
5e53fd65… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
63b5b5b4… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
63b5b5b4… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
66b9f15f… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
66b9f15f… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
753612c7… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
753612c7… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
8968e2ce… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
8968e2ce… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
a0450738… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
a0450738… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
b8e54b39… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
b8e54b39… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
c7a735e7… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
c7a735e7… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}
d113fe49… altLabel — [{"@value":"3,5,5-Trimethylcapronaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexanal, 3,5,5-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 21482","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5435-64-3","https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=5435-64-3; added Common Chemistry CAS names as altLabel: 3,5,5-Trimethylcapronaldehyde, Hexanal, 3,5,5-trimethyl-, NSC 21482; object_uuid=fo-a95d2da2f8f894b2
d113fe49… cas_match_labels — {"5435-64-3":"exactMatch"} group_key=3,5,5-trimethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5435-64-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a95d2da2f8f894b2: {'5435-64-3': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-a95d2da2f8f894b2",
  "prefLabel": [
    {
      "@value": "3,5,5-trimethylhexanal",
      "@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": "3,5,5-Trimethylcapronaldehyde",
      "@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": "Hexanal, 3,5,5-trimethyl-",
      "@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 21482",
      "@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": [
        "C9H18O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_179602"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:21574"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(CC=O)CC(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_179602"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:21574"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_179602"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:21574"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "WTPYRCJDOZVZON-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_179602"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:21574"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "142.242"
      ],
      "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_179602"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
      }
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "142.13577"
      ],
      "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_179602"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
      }
    },
    "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_179602"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3,5,5-trimethylhexanal"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J64.760H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574;CAS:5435-64-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5435-64-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.024.184",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574;CAS:5435-64-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5435-64-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5435-64-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_179602"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6047107",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574;CAS:5435-64-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5435-64-3]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=21482",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574;CAS:5435-64-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5435-64-3]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U62H30BXPJ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574;CAS:5435-64-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5435-64-3]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0031730",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_179602"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/21574",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574;CAS:5435-64-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5435-64-3]"
      }
    },
    {
      "@id": "https://www.chemspider.com/Chemical-Structure.20276.html",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_179602"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:179602",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_179602"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185108",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574;CAS:5435-64-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5435-64-3]"
      }
    },
    {
      "@id": "https://www.femaflavor.org/flavor-library/355-trimethylhexanal",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574;CAS:5435-64-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5435-64-3]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45064",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574;CAS:5435-64-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5435-64-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27290734",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21574;CAS:5435-64-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5435-64-3]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0cf5bb53-e8ef-46a1-ac9e-482660ae95b5",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "5435-64-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=5435-64-3"
        }
      ],
      "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": [
        "226-603-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=226-603-0"
      ],
      "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
}