2,2,2-trichloro-1-phenylethyl Acetate
Everything that changed this flow. Back to the flow
4999bad9-8919-4ffa-a896-fe879fda2cfd
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 165582' (registry code) |
| 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=2,2,2-trichloro-1-phenylethylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'90-17-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-054e8cded4fdab1d: {'90-17-5': '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 air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['90-17-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[7007, 270440]; selected_pubchem_cids=[7007]; 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 |
|---|---|---|---|---|---|
| 4,077 | bootstrap_labels | prefLabel | — | [{"@value":"2,2,2-trichloro-1-phenylethyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 4,078 | bootstrap_labels | name | 2,2,2-trichloro-1-phenylethyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 4,079 | bootstrap_labels | synonyms | ["organic","2,2,2-trichloro-1-phenylethylacetate","rosalin"] | [] | Removed legacy synonyms field in favor of structured labels |
| 85,008 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 85,009 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 214,702 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,030 | normalize_name_case | prefLabel | [{"@value":"2,2,2-trichloro-1-phenylethyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | [{"@value":"2,2,2-trichloro-1-phenylethyl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,105 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9Cl3O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,106 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,107 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.598F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['90-17-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[7007, 270440]; selected_pubchem_cids=[7007]; 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 |
| 249,447 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9Cl3O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9Cl3O2… | rdkit_pre_consensus from 'CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl'; added: molecular_mass, monoisotopic_mass |
| 259,519 | consensus_match | altLabel | [] | [{"@value":"(Trichloromethyl)phenylcarbinyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=2,2,2-trichloro-1-phenylethylacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=90-17-5; added Common Chemistry CAS names as altLabel: (Trichloromethyl)phenylcarbinyl acetate, (±)-α-(Trichloromethyl)benzyl acetate, 2-Acetoxy-1,1,1-trichloro-2-phenylethane, Benzenemethanol, α-(trichloromethyl)-, 1-acetate, Benzenemethanol, α-(trichloromethyl)-, acetate, Benzyl alcohol, α-(trichloromethyl)-, acetate, Crystal rose, NSC 165582, Rosacetate, Rosacetol, Rosephenone, Rosetone, Rosinol Cryst, Rosone, α-(Trichloromethyl)benzyl acetate; object_uuid=fo-054e8cded4fdab1d |
| 259,520 | consensus_match | cas_match_labels | — | {"90-17-5":"exactMatch"} | group_key=2,2,2-trichloro-1-phenylethylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'90-17-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-054e8cded4fdab1d: {'90-17-5': 'exactMatch'} |
| 274,579 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9Cl3O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9Cl3O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2,2-trichloro-1-phenylethyl Acetate' |
| 281,025 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9Cl3O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9Cl3O2… | rdkit_post_consensus from 'CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,081 | strip_catalogue_altlabels | altLabel | [{"@value":"(Trichloromethyl)phenylcarbinyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"(Trichloromethyl)phenylcarbinyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Removed 1 catalogue altLabel value(s): 'NSC 165582' (registry code) |
| 323,512 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4999bad9-8919-… | associations resolved on the elementary layer |
| 388,879 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9Cl3O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9Cl3O2… | typed the way the ontology types it |
| 395,797 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T0609040591070000/4077 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v0 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v1 |
| ef:activity/change/20260821T0609040591070000/4078 | name | ef:agent/bootstrap_labels | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v1 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v2 |
| ef:activity/change/20260821T0609040591070000/4079 | synonyms | ef:agent/bootstrap_labels | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v2 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v3 |
| ef:activity/change/20260821T0609040591070000/85008 | context | ef:agent/default_context_mapping | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v3 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v4 |
| ef:activity/change/20260821T0609040591070000/85009 | context_iri | ef:agent/default_context_mapping | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v4 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v5 |
| ef:activity/change/20260821T0609040591070000/214702 | unit_iri | ef:agent/unit_normalization | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v5 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v6 |
| ef:activity/change/20260821T0609040591070000/222030 | prefLabel | ef:agent/normalize_name_case | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v6 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v7 |
| ef:activity/change/20260821T0609040591070000/231105 | properties | ef:agent/enrich_references | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v7 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v8 |
| ef:activity/change/20260821T0609040591070000/231106 | skos_definition | ef:agent/enrich_references | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v8 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v9 |
| ef:activity/change/20260821T0609040591070000/231107 | references | ef:agent/enrich_references | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v9 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v10 |
| ef:activity/change/20260821T0609040591070000/249447 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v10 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v11 |
| ef:activity/change/20260821T0609040591070000/259519 | altLabel | ef:agent/consensus_match | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v11 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v12 |
| ef:activity/change/20260821T0609040591070000/259520 | cas_match_labels | ef:agent/consensus_match | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v12 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v13 |
| ef:activity/change/20260821T0609040591070000/274579 | properties | ef:agent/opsin_iupac | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v13 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v14 |
| ef:activity/change/20260821T0609040591070000/281025 | properties | ef:agent/rdkit_post_consensus | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v14 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v15 |
| ef:activity/change/20260821T0609040591070000/288081 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v15 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v16 |
| ef:activity/change/20260821T0609040591070000/323512 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v16 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v17 |
| ef:activity/change/20260821T0609040591070000/388879 | properties | ef:agent/normalise_property_values | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v17 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v18 |
| ef:activity/change/20260821T0609040591070000/395797 | types | ef:agent/link_flows_to_their_substance | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v18 | ef:flow/4999bad9-8919-4ffa-a896-fe879fda2cfd/v19 |