3,5,5-trimethylhexyl Acetate
Everything that changed this flow. Back to the flow
7fa7816f-69ea-41e8-982c-e9959fe1d10d
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-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc |
| cas_match_labels | 1 | consensus_match | group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['58430-94-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[42745, 162413]; selected_pubchem_cids=[42745]; 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 |
|---|---|---|---|---|---|
| 4,323 | bootstrap_labels | prefLabel | — | [{"@value":"3,5,5-trimethylhexyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 4,324 | bootstrap_labels | name | 3,5,5-trimethylhexyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 4,325 | bootstrap_labels | synonyms | ["organic","3,5,5-trimethylhexylacetate","vanoris"] | [] | Removed legacy synonyms field in favor of structured labels |
| 125,708 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 125,709 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 214,783 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,087 | normalize_name_case | prefLabel | [{"@value":"3,5,5-trimethylhexyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"3,5,5-trimethylhexyl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,339 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,340 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,341 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J74.802A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['58430-94-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[42745, 162413]; selected_pubchem_cids=[42745]; 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 |
| 249,515 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2"]… | rdkit_pre_consensus from 'CC(CCOC(=O)C)CC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 261,574 | consensus_match | altLabel | [] | [{"@value":"1-Hexanol, 3,5,5-trimethyl-, 1-acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=58430-94-7; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 1-acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, Neononyl acetate, Vanoris; object_uuid=fo-60069ee8bffbfacc |
| 261,575 | consensus_match | cas_match_labels | — | {"58430-94-7":"exactMatch"} | group_key=3,5,5-trimethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58430-94-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-60069ee8bffbfacc: {'58430-94-7': 'exactMatch'} |
| 274,646 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,5,5-trimethylhexyl Acetate' |
| 281,102 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2"]… | rdkit_post_consensus from 'CC(=O)OCCC(C)CC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 343,856 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7fa7816f-69ea-… | associations resolved on the elementary layer |
| 388,952 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2"]… | typed the way the ontology types it |
| 395,902 | 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/20260821T1302361922970000/4323 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v0 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v1 |
| ef:activity/change/20260821T1302361922970000/4324 | name | ef:agent/bootstrap_labels | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v1 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v2 |
| ef:activity/change/20260821T1302361922970000/4325 | synonyms | ef:agent/bootstrap_labels | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v2 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v3 |
| ef:activity/change/20260821T1302361922970000/125708 | context | ef:agent/default_context_mapping | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v3 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v4 |
| ef:activity/change/20260821T1302361922970000/125709 | context_iri | ef:agent/default_context_mapping | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v4 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v5 |
| ef:activity/change/20260821T1302361922970000/214783 | unit_iri | ef:agent/unit_normalization | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v5 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v6 |
| ef:activity/change/20260821T1302361922970000/222087 | prefLabel | ef:agent/normalize_name_case | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v6 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v7 |
| ef:activity/change/20260821T1302361922970000/231339 | properties | ef:agent/enrich_references | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v7 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v8 |
| ef:activity/change/20260821T1302361922970000/231340 | skos_definition | ef:agent/enrich_references | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v8 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v9 |
| ef:activity/change/20260821T1302361922970000/231341 | references | ef:agent/enrich_references | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v9 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v10 |
| ef:activity/change/20260821T1302361922970000/249515 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v10 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v11 |
| ef:activity/change/20260821T1302361922970000/261574 | altLabel | ef:agent/consensus_match | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v11 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v12 |
| ef:activity/change/20260821T1302361922970000/261575 | cas_match_labels | ef:agent/consensus_match | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v12 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v13 |
| ef:activity/change/20260821T1302361922970000/274646 | properties | ef:agent/opsin_iupac | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v13 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v14 |
| ef:activity/change/20260821T1302361922970000/281102 | properties | ef:agent/rdkit_post_consensus | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v14 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v15 |
| ef:activity/change/20260821T1302361922970000/343856 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v15 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v16 |
| ef:activity/change/20260821T1302361922970000/388952 | properties | ef:agent/normalise_property_values | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v16 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v17 |
| ef:activity/change/20260821T1302361922970000/395902 | types | ef:agent/link_flows_to_their_substance | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v17 | ef:flow/7fa7816f-69ea-41e8-982c-e9959fe1d10d/v18 |