2-methylcyclohexyl Acetate
Everything that changed this flow. Back to the flow
eadbf428-a590-4a89-8c4d-1d1acd51bc38
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 109144' (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-methylcyclohexylacetate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5726-19-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2615c21234056e3c: {'5726-19-2': '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 water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5726-19-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[10778, 98345, 165917, 12705473]; selected_pubchem_cids=[98345]; 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 |
|---|---|---|---|---|---|
| 60 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylcyclohexyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 61 | bootstrap_labels | name | 2-methylcyclohexyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 62 | bootstrap_labels | synonyms | ["organic","2-methylcyclohexylacetate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 190,288 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 190,289 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 213,358 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,115 | normalize_name_case | prefLabel | [{"@value":"2-methylcyclohexyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"2-methylcyclohexyl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,223 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,224 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,225 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J44.177E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['5726-19-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[10778, 98345, 165917, 12705473]; selected_pubchem_cids=[98345]; 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 |
| 248,324 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | rdkit_pre_consensus from 'CC1CCCCC1OC(=O)C'; added: molecular_mass, monoisotopic_mass |
| 261,162 | consensus_match | altLabel | [] | [{"@value":"<em>o</em>-Methylcyclohexyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=2-methylcyclohexylacetate||dimension=Environmental > media=Water > water_body=Long-term; cas=5726-19-2; added Common Chemistry CAS names as altLabel: <em>o</em>-Methylcyclohexyl acetate, Cyclohexanol, 2-methyl-, 1-acetate, Cyclohexanol, 2-methyl-, acetate, NSC 109144; object_uuid=fo-2615c21234056e3c |
| 261,163 | consensus_match | cas_match_labels | — | {"5726-19-2":"exactMatch"} | group_key=2-methylcyclohexylacetate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5726-19-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2615c21234056e3c: {'5726-19-2': 'exactMatch'} |
| 273,467 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methylcyclohexyl Acetate' |
| 279,818 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | rdkit_post_consensus from 'CC(=O)OC1CCCCC1C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,280 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>o</em>-Methylcyclohexyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"o-Methylcyclohexyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | Removed 1 catalogue altLabel value(s): 'NSC 109144' (registry code) |
| 376,194 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/eadbf428-a590-… | associations resolved on the elementary layer |
| 387,748 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16O2"],… | typed the way the ontology types it |
| 394,208 | 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/20260820T0738569779880000/60 | prefLabel | ef:agent/bootstrap_labels | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v0 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v1 |
| ef:activity/change/20260820T0738569779880000/61 | name | ef:agent/bootstrap_labels | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v1 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v2 |
| ef:activity/change/20260820T0738569779880000/62 | synonyms | ef:agent/bootstrap_labels | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v2 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v3 |
| ef:activity/change/20260820T0738569779880000/190288 | context | ef:agent/default_context_mapping | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v3 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v4 |
| ef:activity/change/20260820T0738569779880000/190289 | context_iri | ef:agent/default_context_mapping | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v4 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v5 |
| ef:activity/change/20260820T0738569779880000/213358 | unit_iri | ef:agent/unit_normalization | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v5 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v6 |
| ef:activity/change/20260820T0738569779880000/221115 | prefLabel | ef:agent/normalize_name_case | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v6 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v7 |
| ef:activity/change/20260820T0738569779880000/227223 | properties | ef:agent/enrich_references | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v7 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v8 |
| ef:activity/change/20260820T0738569779880000/227224 | skos_definition | ef:agent/enrich_references | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v8 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v9 |
| ef:activity/change/20260820T0738569779880000/227225 | references | ef:agent/enrich_references | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v9 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v10 |
| ef:activity/change/20260820T0738569779880000/248324 | properties | ef:agent/rdkit_pre_consensus | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v10 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v11 |
| ef:activity/change/20260820T0738569779880000/261162 | altLabel | ef:agent/consensus_match | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v11 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v12 |
| ef:activity/change/20260820T0738569779880000/261163 | cas_match_labels | ef:agent/consensus_match | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v12 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v13 |
| ef:activity/change/20260820T0738569779880000/273467 | properties | ef:agent/opsin_iupac | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v13 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v14 |
| ef:activity/change/20260820T0738569779880000/279818 | properties | ef:agent/rdkit_post_consensus | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v14 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v15 |
| ef:activity/change/20260820T0738569779880000/287280 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v15 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v16 |
| ef:activity/change/20260820T0738569779880000/376194 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v16 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v17 |
| ef:activity/change/20260820T0738569779880000/387748 | properties | ef:agent/normalise_property_values | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v17 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v18 |
| ef:activity/change/20260820T0738569779880000/394208 | types | ef:agent/link_flows_to_their_substance | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v18 | ef:flow/eadbf428-a590-4a89-8c4d-1d1acd51bc38/v19 |