3,5,5-trimethylhexanoyl Chloride
Everything that changed this flow. Back to the flow
671aba1e-0146-4f54-bbf6-68e7b6444cd6
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=3,5,5-trimethylhexanoylchloride||dimension=Environmental > media=Air > strata=Long-term; cas=36727-29-4; added Common Chemistry CAS names as altLabel: 2,4,4-Trimethylhexanoyl chloride, 3,5,5-Trimethylhexanoic acid chloride, Hexanoyl chloride, 3,5,5-trimethyl-, Isononanoic acid chloride; object_uuid=fo-a7b015a47e338b60 |
| cas_match_labels | 1 | consensus_match | group_key=3,5,5-trimethylhexanoylchloride||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'36727-29-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a7b015a47e338b60: {'36727-29-4': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['36727-29-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[92654, 136181, 161929]; selected_pubchem_cids=[161929]; 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 |
|---|---|---|---|---|---|
| 12,399 | bootstrap_labels | prefLabel | — | [{"@value":"3,5,5-trimethylhexanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 12,400 | bootstrap_labels | name | 3,5,5-trimethylhexanoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 12,401 | bootstrap_labels | synonyms | ["organic","3,5,5-trimethylhexanoylchloride","isononanoylchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 111,160 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 111,161 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 217,442 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,966 | normalize_name_case | prefLabel | [{"@value":"3,5,5-trimethylhexanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | [{"@value":"3,5,5-trimethylhexanoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,958 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17ClO"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,959 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,960 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.996C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['36727-29-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[92654, 136181, 161929]; selected_pubchem_cids=[161929]; 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 |
| 251,702 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17ClO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17ClO"]… | rdkit_pre_consensus from 'CC(CC(=O)Cl)CC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 261,572 | consensus_match | altLabel | [] | [{"@value":"2,4,4-Trimethylhexanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=3,5,5-trimethylhexanoylchloride||dimension=Environmental > media=Air > strata=Long-term; cas=36727-29-4; added Common Chemistry CAS names as altLabel: 2,4,4-Trimethylhexanoyl chloride, 3,5,5-Trimethylhexanoic acid chloride, Hexanoyl chloride, 3,5,5-trimethyl-, Isononanoic acid chloride; object_uuid=fo-a7b015a47e338b60 |
| 261,573 | consensus_match | cas_match_labels | — | {"36727-29-4":"exactMatch"} | group_key=3,5,5-trimethylhexanoylchloride||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'36727-29-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a7b015a47e338b60: {'36727-29-4': 'exactMatch'} |
| 276,887 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17ClO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17ClO"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,5,5-trimethylhexanoyl Chloride' |
| 283,534 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17ClO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17ClO"]… | rdkit_post_consensus from 'CC(CC(=O)Cl)CC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 336,579 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/671aba1e-0146-… | associations resolved on the elementary layer |
| 391,245 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17ClO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17ClO"]… | typed the way the ontology types it |
| 399,188 | 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/20260821T1302361922970000/12399 | prefLabel | ef:agent/bootstrap_labels | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v0 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v1 |
| ef:activity/change/20260821T1302361922970000/12400 | name | ef:agent/bootstrap_labels | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v1 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v2 |
| ef:activity/change/20260821T1302361922970000/12401 | synonyms | ef:agent/bootstrap_labels | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v2 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v3 |
| ef:activity/change/20260821T1302361922970000/111160 | context | ef:agent/default_context_mapping | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v3 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v4 |
| ef:activity/change/20260821T1302361922970000/111161 | context_iri | ef:agent/default_context_mapping | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v4 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v5 |
| ef:activity/change/20260821T1302361922970000/217442 | unit_iri | ef:agent/unit_normalization | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v5 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v6 |
| ef:activity/change/20260821T1302361922970000/223966 | prefLabel | ef:agent/normalize_name_case | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v6 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v7 |
| ef:activity/change/20260821T1302361922970000/238958 | properties | ef:agent/enrich_references | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v7 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v8 |
| ef:activity/change/20260821T1302361922970000/238959 | skos_definition | ef:agent/enrich_references | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v8 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v9 |
| ef:activity/change/20260821T1302361922970000/238960 | references | ef:agent/enrich_references | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v9 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v10 |
| ef:activity/change/20260821T1302361922970000/251702 | properties | ef:agent/rdkit_pre_consensus | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v10 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v11 |
| ef:activity/change/20260821T1302361922970000/261572 | altLabel | ef:agent/consensus_match | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v11 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v12 |
| ef:activity/change/20260821T1302361922970000/261573 | cas_match_labels | ef:agent/consensus_match | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v12 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v13 |
| ef:activity/change/20260821T1302361922970000/276887 | properties | ef:agent/opsin_iupac | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v13 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v14 |
| ef:activity/change/20260821T1302361922970000/283534 | properties | ef:agent/rdkit_post_consensus | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v14 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v15 |
| ef:activity/change/20260821T1302361922970000/336579 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v15 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v16 |
| ef:activity/change/20260821T1302361922970000/391245 | properties | ef:agent/normalise_property_values | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v16 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v17 |
| ef:activity/change/20260821T1302361922970000/399188 | types | ef:agent/link_flows_to_their_substance | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v17 | ef:flow/671aba1e-0146-4f54-bbf6-68e7b6444cd6/v18 |