2-methylpropanoyl Chloride
Everything that changed this flow. Back to the flow
650877a2-1c9f-4f46-b879-d9aa88289708
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=2-methylpropanoylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=79-30-1; added Common Chemistry CAS names as altLabel: 2,2-Dimethylacetyl chloride, 2-Methylpropanoic acid chloride, 2-Methylpropionyl chloride, 2-Propylcarbonyl chloride, Chloro isopropyl ketone, Dimethylacetyl chloride, Isobutanoyl chloride, Isobutyric acid chloride, Isobutyroyl chloride, Isobutyryl chloride, Isopropanecarbonyl chloride, Propanoyl chloride, 2-methyl-, i-Butyryl chloride, α-Methylpropionyl chloride; object_uuid=fo-d041a12409950262 |
| cas_match_labels | 1 | consensus_match | group_key=2-methylpropanoylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-30-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d041a12409950262: {'79-30-1': '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=['79-30-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[62325, 254928]; selected_pubchem_cids=[62325]; 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 |
|---|---|---|---|---|---|
| 20,385 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylpropanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 20,386 | bootstrap_labels | name | 2-methylpropanoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 20,387 | bootstrap_labels | synonyms | ["organic","isobutyrylchloride",".alpha.-methylpropionylchloride","2-methylpropanoylchloride","2-methylpropionylchlorid… | [] | Removed legacy synonyms field in favor of structured labels |
| 109,924 | 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 |
| 109,925 | 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 |
| 219,943 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,711 | normalize_name_case | prefLabel | [{"@value":"2-methylpropanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"2-methylpropanoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,020 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,021 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,022 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.839C","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['79-30-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[62325, 254928]; selected_pubchem_cids=[62325]; 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 |
| 253,750 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | rdkit_pre_consensus from 'CC(C)C(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 261,186 | consensus_match | altLabel | [] | [{"@value":"2,2-Dimethylacetyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | group_key=2-methylpropanoylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=79-30-1; added Common Chemistry CAS names as altLabel: 2,2-Dimethylacetyl chloride, 2-Methylpropanoic acid chloride, 2-Methylpropionyl chloride, 2-Propylcarbonyl chloride, Chloro isopropyl ketone, Dimethylacetyl chloride, Isobutanoyl chloride, Isobutyric acid chloride, Isobutyroyl chloride, Isobutyryl chloride, Isopropanecarbonyl chloride, Propanoyl chloride, 2-methyl-, i-Butyryl chloride, α-Methylpropionyl chloride; object_uuid=fo-d041a12409950262 |
| 261,187 | consensus_match | cas_match_labels | — | {"79-30-1":"exactMatch"} | group_key=2-methylpropanoylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-30-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d041a12409950262: {'79-30-1': 'exactMatch'} |
| 278,955 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methylpropanoyl Chloride' |
| 285,770 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | rdkit_post_consensus from 'CC(C)C(=O)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 335,959 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/650877a2-1c9f-… | associations resolved on the elementary layer |
| 393,333 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | typed the way the ontology types it |
| 402,243 | 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/20260821T1122181958110000/20385 | prefLabel | ef:agent/bootstrap_labels | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v0 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v1 |
| ef:activity/change/20260821T1122181958110000/20386 | name | ef:agent/bootstrap_labels | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v1 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v2 |
| ef:activity/change/20260821T1122181958110000/20387 | synonyms | ef:agent/bootstrap_labels | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v2 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v3 |
| ef:activity/change/20260821T1122181958110000/109924 | context | ef:agent/default_context_mapping | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v3 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v4 |
| ef:activity/change/20260821T1122181958110000/109925 | context_iri | ef:agent/default_context_mapping | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v4 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v5 |
| ef:activity/change/20260821T1122181958110000/219943 | unit_iri | ef:agent/unit_normalization | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v5 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v6 |
| ef:activity/change/20260821T1122181958110000/225711 | prefLabel | ef:agent/normalize_name_case | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v6 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v7 |
| ef:activity/change/20260821T1122181958110000/246020 | properties | ef:agent/enrich_references | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v7 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v8 |
| ef:activity/change/20260821T1122181958110000/246021 | skos_definition | ef:agent/enrich_references | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v8 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v9 |
| ef:activity/change/20260821T1122181958110000/246022 | references | ef:agent/enrich_references | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v9 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v10 |
| ef:activity/change/20260821T1122181958110000/253750 | properties | ef:agent/rdkit_pre_consensus | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v10 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v11 |
| ef:activity/change/20260821T1122181958110000/261186 | altLabel | ef:agent/consensus_match | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v11 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v12 |
| ef:activity/change/20260821T1122181958110000/261187 | cas_match_labels | ef:agent/consensus_match | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v12 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v13 |
| ef:activity/change/20260821T1122181958110000/278955 | properties | ef:agent/opsin_iupac | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v13 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v14 |
| ef:activity/change/20260821T1122181958110000/285770 | properties | ef:agent/rdkit_post_consensus | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v14 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v15 |
| ef:activity/change/20260821T1122181958110000/335959 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v15 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v16 |
| ef:activity/change/20260821T1122181958110000/393333 | properties | ef:agent/normalise_property_values | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v16 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v17 |
| ef:activity/change/20260821T1122181958110000/402243 | types | ef:agent/link_flows_to_their_substance | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v17 | ef:flow/650877a2-1c9f-4f46-b879-d9aa88289708/v18 |