Propanoic Acid, 2-hydroxy-, Compound With 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate] ( 1:1)
Everything that changed this flow. Back to the flow
957af7ca-35db-41a1-bf7e-91c02a937b76
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=propanoicacid,2-hydroxy-,compoundwith3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate](1:1)||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'68227-46-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5c508d5d3dc6b7be: {'68227-46-3': '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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['68227-46-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[6437503, 73556380]; selected_pubchem_cids=[6437503]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 153 | bootstrap_labels | prefLabel | — | [{"@value":"propanoic acid, 2-hydroxy-, compound with 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene… | Bootstrapped prefLabel from legacy name field |
| 154 | bootstrap_labels | name | propanoic acid, 2-hydroxy-, compound with 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbama… | — | Purged legacy name field to enforce prefLabel usage |
| 155 | bootstrap_labels | synonyms | ["organic","lacticacid,compoundwith3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)toluene-2,4-dicarbamate(1:1)","nottraded"] | [] | Removed legacy synonyms field in favor of structured labels |
| 138,624 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 138,625 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 213,389 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,129 | normalize_name_case | prefLabel | [{"@value":"propanoic acid, 2-hydroxy-, compound with 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene… | [{"@value":"Propanoic Acid, 2-hydroxy-, Compound With 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,315 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H41N3O7… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,316 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,317 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.063.033","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['68227-46-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[6437503, 73556380]; selected_pubchem_cids=[6437503]; 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 |
| 248,353 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H41N3O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H41N3O7… | rdkit_pre_consensus from 'CCCCC(CC)COC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCN(C)C.CC(C(=O)O)O'; added: molecular_mass, monoisotopic_mass |
| 271,077 | consensus_match | altLabel | [] | [{"@value":"Carbamic acid, [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]-, 2-ethylhexyl ester, mono(2-h… | group_key=propanoicacid,2-hydroxy-,compoundwith3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate](1:1)||dimension=Environmental > media=Water > water_body=Long-term; cas=68227-46-3; added Common Chemistry CAS names as altLabel: Carbamic acid, [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]-, 2-ethylhexyl ester, mono(2-hydroxypropanoate), Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl <em>N</em>-[3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1), Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1), Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1); object_uuid=fo-5c508d5d3dc6b7be |
| 271,078 | consensus_match | cas_match_labels | — | {"68227-46-3":"exactMatch"} | group_key=propanoicacid,2-hydroxy-,compoundwith3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate](1:1)||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'68227-46-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5c508d5d3dc6b7be: {'68227-46-3': 'exactMatch'} |
| 273,497 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H41N3O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H41N3O7… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl N-[3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)' |
| 279,848 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H41N3O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H41N3O7… | rdkit_post_consensus from 'CC(O)C(=O)O.CCCCC(CC)COC(=O)Nc1ccc(C)c(NC(=O)OCCN(C)C)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,971 | dedupe_altlabels | altLabel | [{"@value":"Carbamic acid, [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]-, 2-ethylhexyl ester, mono(2-h… | [{"@value":"Carbamic acid, [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]-, 2-ethylhexyl ester, mono(2-h… | Deduplicated altLabel values and removed entries matching prefLabel |
| 350,333 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/957af7ca-35db-… | associations resolved on the elementary layer |
| 387,775 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H41N3O7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H41N3O7… | typed the way the ontology types it |
| 394,244 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260820T0738569779880000/153 | prefLabel | ef:agent/bootstrap_labels | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v0 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v1 |
| ef:activity/change/20260820T0738569779880000/154 | name | ef:agent/bootstrap_labels | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v1 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v2 |
| ef:activity/change/20260820T0738569779880000/155 | synonyms | ef:agent/bootstrap_labels | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v2 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v3 |
| ef:activity/change/20260820T0738569779880000/138624 | context | ef:agent/default_context_mapping | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v3 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v4 |
| ef:activity/change/20260820T0738569779880000/138625 | context_iri | ef:agent/default_context_mapping | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v4 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v5 |
| ef:activity/change/20260820T0738569779880000/213389 | unit_iri | ef:agent/unit_normalization | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v5 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v6 |
| ef:activity/change/20260820T0738569779880000/221129 | prefLabel | ef:agent/normalize_name_case | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v6 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v7 |
| ef:activity/change/20260820T0738569779880000/227315 | properties | ef:agent/enrich_references | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v7 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v8 |
| ef:activity/change/20260820T0738569779880000/227316 | skos_definition | ef:agent/enrich_references | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v8 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v9 |
| ef:activity/change/20260820T0738569779880000/227317 | references | ef:agent/enrich_references | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v9 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v10 |
| ef:activity/change/20260820T0738569779880000/248353 | properties | ef:agent/rdkit_pre_consensus | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v10 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v11 |
| ef:activity/change/20260820T0738569779880000/271077 | altLabel | ef:agent/consensus_match | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v11 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v12 |
| ef:activity/change/20260820T0738569779880000/271078 | cas_match_labels | ef:agent/consensus_match | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v12 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v13 |
| ef:activity/change/20260820T0738569779880000/273497 | properties | ef:agent/opsin_iupac | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v13 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v14 |
| ef:activity/change/20260820T0738569779880000/279848 | properties | ef:agent/rdkit_post_consensus | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v14 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v15 |
| ef:activity/change/20260820T0738569779880000/291971 | altLabel | ef:agent/dedupe_altlabels | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v15 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v16 |
| ef:activity/change/20260820T0738569779880000/350333 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v16 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v17 |
| ef:activity/change/20260820T0738569779880000/387775 | properties | ef:agent/normalise_property_values | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v17 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v18 |
| ef:activity/change/20260820T0738569779880000/394244 | types | ef:agent/link_flows_to_their_substance | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v18 | ef:flow/957af7ca-35db-41a1-bf7e-91c02a937b76/v19 |