Reaction Mass Of (1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl Propanoate, (1r,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl Propanoate And 2-methyl-2-{[(1r*,2r*)-2,6,6-trimethylcycloheptyl]oxy}propyl Propanoate
Everything that changed this flow. Back to the flow
641421c2-f4c7-4778-875a-a2dfa4dd4785
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=reactionmassof(1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropylpropanoate,(1r,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropylpropanoateand2-methyl-2-{[(1r*,2r*)-2,6,6-trimethylcycloheptyl]oxy}propylpropanoate||dimension=Environmental > media=Water > water_body=Surface water; cas=141773-73-1; added Common Chemistry CAS names as altLabel: 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate, 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, propanoate, 2-[1-(3,3-Dimethylcyclohexyl)ethoxy]-2-methylpropyl propionate, Helvetolide; object_uuid=fo-b9b217a42ac55737 |
| cas_match_labels | 1 | consensus_match | group_key=reactionmassof(1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropylpropanoate,(1r,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropylpropanoateand2-methyl-2-{[(1r*,2r*)-2,6,6-trimethylcycloheptyl]oxy}propylpropanoate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'141773-73-1': []}; assigned CAS labels from group consensus; object_uuid=fo-b9b217a42ac55737: {'141773-73-1': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['141773-73-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[16063567]; selected_pubchem_cids=[16063567]; 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 |
|---|---|---|---|---|---|
| 9,630 | bootstrap_labels | prefLabel | — | [{"@value":"reaction mass of (1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl propanoate, (1r,1'r)-2-… | Bootstrapped prefLabel from legacy name field |
| 9,631 | bootstrap_labels | name | reaction mass of (1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl propanoate, (1r,1'r)-2-[1-(3',3'-di… | — | Purged legacy name field to enforce prefLabel usage |
| 9,632 | bootstrap_labels | synonyms | ["organic","1-propanol,2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-,1-propanoate","reactionmassof(1s,1'","r)-2-[1… | [] | Removed legacy synonyms field in favor of structured labels |
| 109,137 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 109,138 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 216,542 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,355 | normalize_name_case | prefLabel | [{"@value":"reaction mass of (1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl propanoate, (1r,1'r)-2-… | [{"@value":"Reaction Mass Of (1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl Propanoate, (1r,1'r)-2-… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,387 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H32O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,388 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,389 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.781.585C","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['141773-73-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[16063567]; selected_pubchem_cids=[16063567]; 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 |
| 250,967 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H32O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H32O3"]… | rdkit_pre_consensus from 'CCC(=O)OCC(C)(C)OC(C)C1CCCC(C1)(C)C'; added: molecular_mass, monoisotopic_mass |
| 271,305 | consensus_match | altLabel | [] | [{"@value":"1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate","@language":"en","source":{"prov:… | group_key=reactionmassof(1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropylpropanoate,(1r,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropylpropanoateand2-methyl-2-{[(1r*,2r*)-2,6,6-trimethylcycloheptyl]oxy}propylpropanoate||dimension=Environmental > media=Water > water_body=Surface water; cas=141773-73-1; added Common Chemistry CAS names as altLabel: 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate, 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, propanoate, 2-[1-(3,3-Dimethylcyclohexyl)ethoxy]-2-methylpropyl propionate, Helvetolide; object_uuid=fo-b9b217a42ac55737 |
| 271,306 | consensus_match | cas_match_labels | — | {"141773-73-1":"exactMatch"} | group_key=reactionmassof(1s,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropylpropanoate,(1r,1'r)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropylpropanoateand2-methyl-2-{[(1r*,2r*)-2,6,6-trimethylcycloheptyl]oxy}propylpropanoate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'141773-73-1': []}; assigned CAS labels from group consensus; object_uuid=fo-b9b217a42ac55737: {'141773-73-1': 'exactMatch'} |
| 276,155 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H32O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H32O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate' |
| 282,735 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H32O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H32O3"]… | rdkit_post_consensus from 'CCC(=O)OCC(C)(C)OC(C)C1CCCC(C)(C)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 335,604 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/641421c2-f4c7-… | associations resolved on the elementary layer |
| 390,527 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H32O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H32O3"]… | typed the way the ontology types it |
| 398,154 | 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/20260922T1243363193610000/9630 | prefLabel | ef:agent/bootstrap_labels | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v0 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v1 |
| ef:activity/change/20260922T1243363193610000/9631 | name | ef:agent/bootstrap_labels | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v1 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v2 |
| ef:activity/change/20260922T1243363193610000/9632 | synonyms | ef:agent/bootstrap_labels | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v2 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v3 |
| ef:activity/change/20260922T1243363193610000/109137 | context | ef:agent/default_context_mapping | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v3 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v4 |
| ef:activity/change/20260922T1243363193610000/109138 | context_iri | ef:agent/default_context_mapping | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v4 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v5 |
| ef:activity/change/20260922T1243363193610000/216542 | unit_iri | ef:agent/unit_normalization | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v5 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v6 |
| ef:activity/change/20260922T1243363193610000/223355 | prefLabel | ef:agent/normalize_name_case | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v6 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v7 |
| ef:activity/change/20260922T1243363193610000/236387 | properties | ef:agent/enrich_references | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v7 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v8 |
| ef:activity/change/20260922T1243363193610000/236388 | skos_definition | ef:agent/enrich_references | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v8 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v9 |
| ef:activity/change/20260922T1243363193610000/236389 | references | ef:agent/enrich_references | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v9 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v10 |
| ef:activity/change/20260922T1243363193610000/250967 | properties | ef:agent/rdkit_pre_consensus | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v10 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v11 |
| ef:activity/change/20260922T1243363193610000/271305 | altLabel | ef:agent/consensus_match | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v11 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v12 |
| ef:activity/change/20260922T1243363193610000/271306 | cas_match_labels | ef:agent/consensus_match | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v12 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v13 |
| ef:activity/change/20260922T1243363193610000/276155 | properties | ef:agent/opsin_iupac | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v13 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v14 |
| ef:activity/change/20260922T1243363193610000/282735 | properties | ef:agent/rdkit_post_consensus | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v14 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v15 |
| ef:activity/change/20260922T1243363193610000/335604 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v15 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v16 |
| ef:activity/change/20260922T1243363193610000/390527 | properties | ef:agent/normalise_property_values | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v16 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v17 |
| ef:activity/change/20260922T1243363193610000/398154 | types | ef:agent/link_flows_to_their_substance | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v17 | ef:flow/641421c2-f4c7-4778-875a-a2dfa4dd4785/v18 |