2,2,4(or 2,4,4)-trimethyl-1,6-hexanediamine
Everything that changed this flow. Back to the flow
467b050d-6545-4e0e-a9cf-e232e73d9422
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=2,2,4(or2,4,4)-trimethyl-1,6-hexanediamine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'25513-64-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6849e06524ce910f: {'25513-64-8': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['25513-64-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[76714, 92950, 3033875, 12546508, 15043600, 133108978]; selected_pubchem_cids=[92950, 133108978]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,544 | bootstrap_labels | prefLabel | — | [{"@value":"2,2,4(or 2,4,4)-trimethyl-1,6-hexanediamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | Bootstrapped prefLabel from legacy name field |
| 14,545 | bootstrap_labels | name | 2,2,4(or 2,4,4)-trimethyl-1,6-hexanediamine | — | Purged legacy name field to enforce prefLabel usage |
| 14,546 | bootstrap_labels | synonyms | ["organic","2,2,4(or2,4,4)-trimethylhexane-1,6-diamine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 83,220 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 83,221 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 218,139 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 240,950 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H45N3",… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 240,951 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,952 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.159H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['25513-64-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[76714, 92950, 3033875, 12546508, 15043600, 133108978]; selected_pubchem_cids=[92950, 133108978]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 252,281 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H45N3",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H45N3",… | rdkit_pre_consensus from 'CC(CCN)CC(C)(C)CN'; added: molecular_mass, monoisotopic_mass |
| 259,548 | consensus_match | altLabel | [] | [{"@value":"1,6-Hexanediamine, 2,2,4(<em>or</em> 2,4,4)-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"c… | group_key=2,2,4(or2,4,4)-trimethyl-1,6-hexanediamine||dimension=Environmental > media=Water > water_body=Ocean; cas=25513-64-8; added Common Chemistry CAS names as altLabel: 1,6-Hexanediamine, 2,2,4(<em>or</em> 2,4,4)-trimethyl-, 2,2(4),4-Trimethyl-1,6-hexanediamine, 2,2,4( Or 2,4,4)-Trimethyl-1,6-hexamethylenediamine, 2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylenediamine, 2,2,4-Trimethylhexane-1,6-diamine; 2,4,4-trimethylhexane-1,6-diamine, Aradur 21, TMD, Trimethylhexamethylenediamine, Trimethylhexmethylene diamine, Vestamin TMD; object_uuid=fo-6849e06524ce910f |
| 259,549 | consensus_match | cas_match_labels | — | {"25513-64-8":"exactMatch"} | group_key=2,2,4(or2,4,4)-trimethyl-1,6-hexanediamine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'25513-64-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6849e06524ce910f: {'25513-64-8': 'exactMatch'} |
| 284,160 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H45N3",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H45N3",… | rdkit_post_consensus from 'CC(CCN)CC(C)(C)CN'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,037 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H45N3",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H45N3",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,757 | dedupe_altlabels | altLabel | [{"@value":"1,6-Hexanediamine, 2,2,4(<em>or</em> 2,4,4)-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"c… | [{"@value":"1,6-Hexanediamine, 2,2,4(or 2,4,4)-trimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | Deduplicated altLabel values and removed entries matching prefLabel |
| 322,617 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/467b050d-6545-… | associations resolved on the elementary layer |
| 400,025 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T0609040591070000/14544 | prefLabel | ef:agent/bootstrap_labels | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v0 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v1 |
| ef:activity/change/20260821T0609040591070000/14545 | name | ef:agent/bootstrap_labels | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v1 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v2 |
| ef:activity/change/20260821T0609040591070000/14546 | synonyms | ef:agent/bootstrap_labels | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v2 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v3 |
| ef:activity/change/20260821T0609040591070000/83220 | context | ef:agent/default_context_mapping | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v3 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v4 |
| ef:activity/change/20260821T0609040591070000/83221 | context_iri | ef:agent/default_context_mapping | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v4 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v5 |
| ef:activity/change/20260821T0609040591070000/218139 | unit_iri | ef:agent/unit_normalization | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v5 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v6 |
| ef:activity/change/20260821T0609040591070000/240950 | properties | ef:agent/enrich_references | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v6 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v7 |
| ef:activity/change/20260821T0609040591070000/240951 | skos_definition | ef:agent/enrich_references | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v7 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v8 |
| ef:activity/change/20260821T0609040591070000/240952 | references | ef:agent/enrich_references | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v8 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v9 |
| ef:activity/change/20260821T0609040591070000/252281 | properties | ef:agent/rdkit_pre_consensus | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v9 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v10 |
| ef:activity/change/20260821T0609040591070000/259548 | altLabel | ef:agent/consensus_match | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v10 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v11 |
| ef:activity/change/20260821T0609040591070000/259549 | cas_match_labels | ef:agent/consensus_match | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v11 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v12 |
| ef:activity/change/20260821T0609040591070000/284160 | properties | ef:agent/rdkit_post_consensus | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v12 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v13 |
| ef:activity/change/20260821T0609040591070000/287037 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v13 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v14 |
| ef:activity/change/20260821T0609040591070000/292757 | altLabel | ef:agent/dedupe_altlabels | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v14 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v15 |
| ef:activity/change/20260821T0609040591070000/322617 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v15 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v16 |
| ef:activity/change/20260821T0609040591070000/400025 | types | ef:agent/link_flows_to_their_substance | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v16 | ef:flow/467b050d-6545-4e0e-a9cf-e232e73d9422/v17 |