3,5-dimethylthio-2,4-(or 2,6-)toluenediamine
Everything that changed this flow. Back to the flow
28e94944-402d-4d16-b35e-fb69e30949bf
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 6 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 6 catalogue altLabel value(s): 'E 300' (grade code), 'E 300 (amine)' (grade code), 'EH 105L' (grade code), 'Etakyur 300' (trade name), 'Ethacure 300' (trade name), 'HC 600' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=3,5-dimethylthio-2,4-(or2,6-)toluenediamine||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'106264-79-3': []}; assigned CAS labels from group consensus; object_uuid=fo-53715c4c2ebb7941: {'106264-79-3': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea 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=['106264-79-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[86262, 2737787, 11264371, 23035612, 49853393, 57346531, 87900053]; selected_pubchem_cids=[86262, 23035612, 49853393, 57346531, 87900053]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,272 | bootstrap_labels | prefLabel | — | [{"@value":"3,5-dimethylthio-2,4-(or 2,6-)toluenediamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 4,273 | bootstrap_labels | name | 3,5-dimethylthio-2,4-(or 2,6-)toluenediamine | — | Purged legacy name field to enforce prefLabel usage |
| 4,274 | bootstrap_labels | synonyms | ["organic","6-methyl-2,4-bis(methylthio)phenylene-1,3-diamine","amixtureof:3,5-dimethylthio-2,4-toluenediamine","3,5-di… | [] | Removed legacy synonyms field in favor of structured labels |
| 63,348 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 63,349 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 214,766 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 231,290 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28N4S4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=5) |
| 231,291 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,292 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J276.463F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['106264-79-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[86262, 2737787, 11264371, 23035612, 49853393, 57346531, 87900053]; selected_pubchem_cids=[86262, 23035612, 49853393, 57346531, 87900053]; 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 |
| 249,500 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28N4S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28N4S4… | rdkit_pre_consensus from 'CC1=C(C(=CC(=C1N)SC)SC)N'; added: molecular_mass, monoisotopic_mass |
| 261,612 | consensus_match | altLabel | [] | [{"@value":"1,3-Benzenediamine, 2(<em>or</em> 4)-methyl-4,6(<em>or</em> 2,6)-bis(methylthio)-","@language":"en","source… | group_key=3,5-dimethylthio-2,4-(or2,6-)toluenediamine||dimension=Environmental > media=Air > indoor=Unknown; cas=106264-79-3; added Common Chemistry CAS names as altLabel: 1,3-Benzenediamine, 2(<em>or</em> 4)-methyl-4,6(<em>or</em> 2,6)-bis(methylthio)-, 2(<em>or</em> 4)-Methyl-4,6(<em>or</em> 2,6)-bis(methylthio)-1,3-benzenediamine, Adeka EH 105L, Baytec XL 1705, Bis(methylthio)toluenediamine, DADMT, DMTDA, Dimethylthiotoluenediamine, E 300, E 300 (amine), EH 105L, Etakyur 300, Ethacure 300, HC 600, Hartcure 30, JBCure 300; object_uuid=fo-53715c4c2ebb7941 |
| 261,613 | consensus_match | cas_match_labels | — | {"106264-79-3":"exactMatch"} | group_key=3,5-dimethylthio-2,4-(or2,6-)toluenediamine||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'106264-79-3': []}; assigned CAS labels from group consensus; object_uuid=fo-53715c4c2ebb7941: {'106264-79-3': 'exactMatch'} |
| 274,631 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28N4S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28N4S4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Bis(methylthio)toluenediamine' |
| 281,085 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28N4S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28N4S4… | rdkit_post_consensus from 'CSc1ccccc1C(N)(N)SC'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,801 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28N4S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H28N4S4… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 6 candidate structures, so no one mass describes it |
| 288,123 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Benzenediamine, 2(<em>or</em> 4)-methyl-4,6(<em>or</em> 2,6)-bis(methylthio)-","@language":"en","source… | [{"@value":"1,3-Benzenediamine, 2(or 4)-methyl-4,6(or 2,6)-bis(methylthio)-","@language":"en","source":{"prov:wasGenera… | Removed 6 catalogue altLabel value(s): 'E 300' (grade code), 'E 300 (amine)' (grade code), 'EH 105L' (grade code), 'Etakyur 300' (trade name), 'Ethacure 300' (trade name), 'HC 600' (grade code) |
| 312,690 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/28e94944-402d-… | associations resolved on the elementary layer |
| 395,880 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1122181958110000/4272 | prefLabel | ef:agent/bootstrap_labels | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v0 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v1 |
| ef:activity/change/20260821T1122181958110000/4273 | name | ef:agent/bootstrap_labels | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v1 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v2 |
| ef:activity/change/20260821T1122181958110000/4274 | synonyms | ef:agent/bootstrap_labels | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v2 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v3 |
| ef:activity/change/20260821T1122181958110000/63348 | context | ef:agent/default_context_mapping | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v3 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v4 |
| ef:activity/change/20260821T1122181958110000/63349 | context_iri | ef:agent/default_context_mapping | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v4 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v5 |
| ef:activity/change/20260821T1122181958110000/214766 | unit_iri | ef:agent/unit_normalization | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v5 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v6 |
| ef:activity/change/20260821T1122181958110000/231290 | properties | ef:agent/enrich_references | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v6 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v7 |
| ef:activity/change/20260821T1122181958110000/231291 | skos_definition | ef:agent/enrich_references | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v7 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v8 |
| ef:activity/change/20260821T1122181958110000/231292 | references | ef:agent/enrich_references | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v8 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v9 |
| ef:activity/change/20260821T1122181958110000/249500 | properties | ef:agent/rdkit_pre_consensus | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v9 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v10 |
| ef:activity/change/20260821T1122181958110000/261612 | altLabel | ef:agent/consensus_match | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v10 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v11 |
| ef:activity/change/20260821T1122181958110000/261613 | cas_match_labels | ef:agent/consensus_match | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v11 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v12 |
| ef:activity/change/20260821T1122181958110000/274631 | properties | ef:agent/opsin_iupac | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v12 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v13 |
| ef:activity/change/20260821T1122181958110000/281085 | properties | ef:agent/rdkit_post_consensus | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v13 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v14 |
| ef:activity/change/20260821T1122181958110000/286801 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v14 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v15 |
| ef:activity/change/20260821T1122181958110000/288123 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v15 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v16 |
| ef:activity/change/20260821T1122181958110000/312690 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v16 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v17 |
| ef:activity/change/20260821T1122181958110000/395880 | types | ef:agent/link_flows_to_their_substance | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v17 | ef:flow/28e94944-402d-4d16-b35e-fb69e30949bf/v18 |