2-octyldodecyl Isooctadecanoate
Everything that changed this flow. Back to the flow
e5fd1c11-7599-4bdc-8697-bfb60bb12a51
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-octyldodecylisooctadecanoate||dimension=Environmental > media=Water > water_body=Long-term; cas=93803-87-3; added Common Chemistry CAS names as altLabel: 2-Octyldodecyl isostearate, Isooctadecanoic acid, 2-octyldodecyl ester; object_uuid=fo-5b5ad10374b64f1e |
| cas_match_labels | 1 | consensus_match | group_key=2-octyldodecylisooctadecanoate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'93803-87-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5b5ad10374b64f1e: {'93803-87-3': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['93803-87-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[44147658]; selected_pubchem_cids=[44147658]; 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 |
|---|---|---|---|---|---|
| 16,014 | bootstrap_labels | prefLabel | — | [{"@value":"2-octyldodecyl isooctadecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 16,015 | bootstrap_labels | name | 2-octyldodecyl isooctadecanoate | — | Purged legacy name field to enforce prefLabel usage |
| 16,016 | bootstrap_labels | synonyms | ["organic","2-octyldodecylisooctadecanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 187,500 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 187,501 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 218,601 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,775 | normalize_name_case | prefLabel | [{"@value":"2-octyldodecyl isooctadecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"2-octyldodecyl Isooctadecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,260 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H76O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,261 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,262 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.089.377","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['93803-87-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[44147658]; selected_pubchem_cids=[44147658]; 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 |
| 252,665 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H76O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H76O2"]… | rdkit_pre_consensus from 'CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C'; added: molecular_mass, monoisotopic_mass |
| 261,249 | consensus_match | altLabel | [] | [{"@value":"2-Octyldodecyl isostearate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | group_key=2-octyldodecylisooctadecanoate||dimension=Environmental > media=Water > water_body=Long-term; cas=93803-87-3; added Common Chemistry CAS names as altLabel: 2-Octyldodecyl isostearate, Isooctadecanoic acid, 2-octyldodecyl ester; object_uuid=fo-5b5ad10374b64f1e |
| 261,250 | consensus_match | cas_match_labels | — | {"93803-87-3":"exactMatch"} | group_key=2-octyldodecylisooctadecanoate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'93803-87-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5b5ad10374b64f1e: {'93803-87-3': 'exactMatch'} |
| 277,872 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H76O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H76O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-octyldodecyl Isooctadecanoate' |
| 284,581 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H76O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H76O2"]… | rdkit_post_consensus from 'CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 374,778 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e5fd1c11-7599-… | associations resolved on the elementary layer |
| 392,227 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H76O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H76O2"]… | typed the way the ontology types it |
| 400,586 | 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/20260821T1554374006150000/16014 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v0 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v1 |
| ef:activity/change/20260821T1554374006150000/16015 | name | ef:agent/bootstrap_labels | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v1 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v2 |
| ef:activity/change/20260821T1554374006150000/16016 | synonyms | ef:agent/bootstrap_labels | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v2 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v3 |
| ef:activity/change/20260821T1554374006150000/187500 | context | ef:agent/default_context_mapping | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v3 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v4 |
| ef:activity/change/20260821T1554374006150000/187501 | context_iri | ef:agent/default_context_mapping | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v4 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v5 |
| ef:activity/change/20260821T1554374006150000/218601 | unit_iri | ef:agent/unit_normalization | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v5 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v6 |
| ef:activity/change/20260821T1554374006150000/224775 | prefLabel | ef:agent/normalize_name_case | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v6 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v7 |
| ef:activity/change/20260821T1554374006150000/242260 | properties | ef:agent/enrich_references | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v7 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v8 |
| ef:activity/change/20260821T1554374006150000/242261 | skos_definition | ef:agent/enrich_references | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v8 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v9 |
| ef:activity/change/20260821T1554374006150000/242262 | references | ef:agent/enrich_references | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v9 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v10 |
| ef:activity/change/20260821T1554374006150000/252665 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v10 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v11 |
| ef:activity/change/20260821T1554374006150000/261249 | altLabel | ef:agent/consensus_match | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v11 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v12 |
| ef:activity/change/20260821T1554374006150000/261250 | cas_match_labels | ef:agent/consensus_match | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v12 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v13 |
| ef:activity/change/20260821T1554374006150000/277872 | properties | ef:agent/opsin_iupac | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v13 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v14 |
| ef:activity/change/20260821T1554374006150000/284581 | properties | ef:agent/rdkit_post_consensus | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v14 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v15 |
| ef:activity/change/20260821T1554374006150000/374778 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v15 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v16 |
| ef:activity/change/20260821T1554374006150000/392227 | properties | ef:agent/normalise_property_values | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v16 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v17 |
| ef:activity/change/20260821T1554374006150000/400586 | types | ef:agent/link_flows_to_their_substance | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v17 | ef:flow/e5fd1c11-7599-4bdc-8697-bfb60bb12a51/v18 |