← Back to consensus flow objects

3,5,5-trimethylhexyl Acetate

Flow Object IDfo-60069ee8bffbfacc
TypeConsensus
prefLabel
Label Language
3,5,5-trimethylhexyl Acetate en
Alt Labels
Label Language Provenance
1-Hexanol, 3,5,5-trimethyl-, 1-acetate en —
1-Hexanol, 3,5,5-trimethyl-, acetate en —
Neononyl acetate en —
Vanoris en —
CAS Numbers58430-94-7
EC Numbers261-245-9
Changes Applied26

Properties

Predicate Value
InChIKey DGKXDLCVQSQVBC-UHFFFAOYSA-N, LJSJTXAZFHYHMM-UHFFFAOYSA-N
InChI InChI=1S/C11H22O2/c1-10(2)8-6-4-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3, InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3
IUPAC name 3,5,5-trimethylhexyl acetate, 3,5,5-trimethylhexyl ethanoate, 7-methyloctyl acetate, 7-methyloctyl ethanoate, acetic acid 3,5,5-trimethylhexyl ester, acetic acid 7-methyloctyl ester
Molecular formula C11H22O2
SMILES CC(C)CCCCCCOC(=O)C, CC(CCOC(=O)C)CC(C)(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
f249bc0c… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
d650fef2… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
e5993a7a… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
9e916f9f… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
7fa7816f… EF 3.1 kg Environmental → Air → Unknown 4 2
a1d28aa3… EF 3.1 kg Environmental → Air → Unknown 4 2
04f78b0b… EF 3.1 kg Environmental → Ground → Agricultural 4 2
9f238f8c… EF 3.1 kg Environmental → Ground → Unknown 4 2
470b688e… EF 3.1 kg Environmental → Water → Ocean 4 2
8f13016c… EF 3.1 kg Environmental → Water → Surface water 4 2
499e4736… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
04f78b0b… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
04f78b0b… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
470b688e… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
470b688e… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
499e4736… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
499e4736… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
7fa7816f… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
7fa7816f… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
8f13016c… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
8f13016c… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
9e916f9f… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
9e916f9f… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
9ebd8c86… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
9ebd8c86… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
9f238f8c… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
9f238f8c… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
a1d28aa3… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
a1d28aa3… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
c33a089f… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
c33a089f… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
d650fef2… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
d650fef2… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
e5993a7a… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
e5993a7a… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}
f249bc0c… altLabel — [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1-Hexanol, 3,5,5-trimethyl-, acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neononyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vanoris","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:58430-94-7","https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc
f249bc0c… cas_match_labels — {"58430-94-7":"exactMatch"} group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-60069ee8bffbfacc",
  "prefLabel": [
    {
      "@value": "3,5,5-trimethylhexyl Acetate",
      "@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": "1-Hexanol, 3,5,5-trimethyl-, 1-acetate",
      "@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": "1-Hexanol, 3,5,5-trimethyl-, acetate",
      "@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": "Neononyl acetate",
      "@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": "Vanoris",
      "@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": [
        "C11H22O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745",
          "CID:162413"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DGKXDLCVQSQVBC-UHFFFAOYSA-N",
        "LJSJTXAZFHYHMM-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745",
          "CID:162413"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)CCCCCCOC(=O)C",
        "CC(CCOC(=O)C)CC(C)(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745",
          "CID:162413"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H22O2/c1-10(2)8-6-4-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3",
        "InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745",
          "CID:162413"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3,5,5-trimethylhexyl acetate",
        "3,5,5-trimethylhexyl ethanoate",
        "7-methyloctyl acetate",
        "7-methyloctyl ethanoate",
        "acetic acid 3,5,5-trimethylhexyl ester",
        "acetic acid 7-methyloctyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745",
          "CID:162413"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J74.802A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.049.890",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.055.659",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=58430-94-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "58430-94-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0041270",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID4041577",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162413;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9HMD71U17Z",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z6Z59LRU9X",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162413;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/162413",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162413;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[58430-94-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/42745",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[58430-94-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1993",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188283",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27295086",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162413;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q2823829",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:42745;CAS:58430-94-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58430-94-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "04f78b0b-c203-4477-b0d7-ed68fac0d216",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "58430-94-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=58430-94-7"
        }
      ],
      "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": [
        "261-245-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=261-245-9"
      ],
      "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
}