1,3-bis(1-isocyanato-1-methylethyl)benzene
Everything that changed this flow. Back to the flow
8fa9436c-8320-46a4-ad12-486e68a987b7
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 |
| cas_match_labels | 1 | consensus_match | group_key=1,3-bis(1-isocyanato-1-methylethyl)benzene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2778-42-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-648c71bc7e4bd041: {'2778-42-9': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 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=['2778-42-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[17719]; selected_pubchem_cids=[17719]; 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 |
|---|---|---|---|---|---|
| 21,592 | bootstrap_labels | prefLabel | — | [{"@value":"1,3-bis(1-isocyanato-1-methylethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 21,593 | bootstrap_labels | name | 1,3-bis(1-isocyanato-1-methylethyl)benzene | — | Purged legacy name field to enforce prefLabel usage |
| 21,594 | bootstrap_labels | synonyms | ["organic","1,3-bis(1-isocyanato-1-methylethyl)benzene","tmxdi(meta)aliphaticisocyanate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 135,156 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 135,157 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 220,258 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 246,875 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,876 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,877 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.726F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2778-42-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[17719]; selected_pubchem_cids=[17719]; 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 |
| 254,000 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | rdkit_pre_consensus from 'CC(C)(C1=CC(=CC=C1)C(C)(C)N=C=O)N=C=O'; added: molecular_mass, monoisotopic_mass |
| 258,504 | consensus_match | altLabel | [] | [{"@value":"1,3-Bis(1-isocyanatolmethylethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=1,3-bis(1-isocyanato-1-methylethyl)benzene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2778-42-9; added Common Chemistry CAS names as altLabel: 1,3-Bis(1-isocyanatolmethylethyl)benzene, 1,3-Bis(1-methyl-1-isocyanatoethyl)benzene, 1,3-Bis(2-isocyanato-prop-2-yl)benzene, 1,3-Bis(2-isocyanatopropan-2-yl)benzene, 1,3-Bis(α-isocyanatoisopropyl)benzene, <em>m</em>-Bis(1-isocyanato-1-methylethyl)benzene, <em>m</em>-TMXDI, <em>m</em>-Tetramethylxylene diisocyanate, Benzene, 1,3-bis(1-isocyanato-1-methylethyl)-, Isocyanic acid, <em>m</em>-phenylenediisopropylidene ester, Isocyanic acid, α,α,α′,α′-tetramethyl-<em>m</em>-xylylene ester, Meta-tetramethylxylylene diisocyanate, Tetramethyl-1,3-xylylene diisocyanate, Tetramethyl-<em>m</em>-xylylene diisocyanate, α,α,α′,α′-Tetramethyl-1,3-xylene diisocyanate, α,α,α′,α′-Tetramethyl-1,3-xylylen diisocyanate, α,α,α′,α′-Tetramethyl-1,3-xylylene diisocyanate, α,α,α′,α′-Tetramethyl-<em>m</em>-phenylenedimethylene diisocyanate, α,α,α′,α′-Tetramethyl-<em>m</em>-xylene diisocyanate, α,α,α′,α′-Tetramethyl-<em>m</em>-xylylene diisocyanate; object_uuid=fo-648c71bc7e4bd041 |
| 258,505 | consensus_match | cas_match_labels | — | {"2778-42-9":"exactMatch"} | group_key=1,3-bis(1-isocyanato-1-methylethyl)benzene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2778-42-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-648c71bc7e4bd041: {'2778-42-9': 'exactMatch'} |
| 279,191 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-bis(1-isocyanato-1-methylethyl)benzene' |
| 286,048 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | rdkit_post_consensus from 'CC(C)(N=C=O)c1cccc(C(C)(C)N=C=O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,124 | dedupe_altlabels | altLabel | [{"@value":"1,3-Bis(1-isocyanatolmethylethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"1,3-Bis(1-isocyanatolmethylethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Deduplicated altLabel values and removed entries matching prefLabel |
| 348,567 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8fa9436c-8320-… | associations resolved on the elementary layer |
| 393,574 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | typed the way the ontology types it |
| 402,642 | 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/20260820T1812399309960000/21592 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v0 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v1 |
| ef:activity/change/20260820T1812399309960000/21593 | name | ef:agent/bootstrap_labels | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v1 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v2 |
| ef:activity/change/20260820T1812399309960000/21594 | synonyms | ef:agent/bootstrap_labels | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v2 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v3 |
| ef:activity/change/20260820T1812399309960000/135156 | context | ef:agent/default_context_mapping | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v3 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v4 |
| ef:activity/change/20260820T1812399309960000/135157 | context_iri | ef:agent/default_context_mapping | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v4 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v5 |
| ef:activity/change/20260820T1812399309960000/220258 | unit_iri | ef:agent/unit_normalization | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v5 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v6 |
| ef:activity/change/20260820T1812399309960000/246875 | properties | ef:agent/enrich_references | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v6 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v7 |
| ef:activity/change/20260820T1812399309960000/246876 | skos_definition | ef:agent/enrich_references | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v7 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v8 |
| ef:activity/change/20260820T1812399309960000/246877 | references | ef:agent/enrich_references | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v8 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v9 |
| ef:activity/change/20260820T1812399309960000/254000 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v9 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v10 |
| ef:activity/change/20260820T1812399309960000/258504 | altLabel | ef:agent/consensus_match | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v10 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v11 |
| ef:activity/change/20260820T1812399309960000/258505 | cas_match_labels | ef:agent/consensus_match | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v11 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v12 |
| ef:activity/change/20260820T1812399309960000/279191 | properties | ef:agent/opsin_iupac | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v12 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v13 |
| ef:activity/change/20260820T1812399309960000/286048 | properties | ef:agent/rdkit_post_consensus | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v13 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v14 |
| ef:activity/change/20260820T1812399309960000/293124 | altLabel | ef:agent/dedupe_altlabels | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v14 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v15 |
| ef:activity/change/20260820T1812399309960000/348567 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v15 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v16 |
| ef:activity/change/20260820T1812399309960000/393574 | properties | ef:agent/normalise_property_values | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v16 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v17 |
| ef:activity/change/20260820T1812399309960000/402642 | types | ef:agent/link_flows_to_their_substance | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v17 | ef:flow/8fa9436c-8320-46a4-ad12-486e68a987b7/v18 |