1,2-bis(7-methyloctyl) (1r,2s)-cyclohexane-1,2-dicarboxylate
Everything that changed this flow. Back to the flow
c0a028b6-9ece-46c0-a07b-04b1589b4ea6
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Flocare 35138' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=1,2-bis(7-methyloctyl)(1r,2s)-cyclohexane-1,2-dicarboxylate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'166412-78-8': []}; assigned CAS labels from group consensus; object_uuid=fo-87c3fb7ef43e6dc8: {'166412-78-8': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['166412-78-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[11524680, 22924775]; selected_pubchem_cids=[11524680, 22924775]; 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 |
|---|---|---|---|---|---|
| 18,487 | bootstrap_labels | prefLabel | — | [{"@value":"1,2-bis(7-methyloctyl) (1r,2s)-cyclohexane-1,2-dicarboxylate","@language":"en","source":{"prov:wasGenerated… | Bootstrapped prefLabel from legacy name field |
| 18,488 | bootstrap_labels | name | 1,2-bis(7-methyloctyl) (1r,2s)-cyclohexane-1,2-dicarboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 18,489 | bootstrap_labels | synonyms | ["organic","dinch","1,2cyclohexanedicarboxylicacid,bis(isononyl)ester","1,2-cyclohexandicarbonsaeurediisononylester","1… | [] | Removed legacy synonyms field in favor of structured labels |
| 163,938 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 163,939 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 219,381 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,447 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H46O4-2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 244,448 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,449 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.003.784I","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['166412-78-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[11524680, 22924775]; selected_pubchem_cids=[11524680, 22924775]; 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 |
| 253,293 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H46O4-2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H46O4-2… | rdkit_pre_consensus from 'CC(C)CCCCCCC1(CCCCC1(CCCCCCC(C)C)C(=O)[O-])C(=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 258,347 | consensus_match | altLabel | [] | [{"@value":"1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester","@language":"en","source":{"prov:wasGeneratedBy":"c… | group_key=1,2-bis(7-methyloctyl)(1r,2s)-cyclohexane-1,2-dicarboxylate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=166412-78-8; added Common Chemistry CAS names as altLabel: 1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester, 1,2-Cyclohexanedicarboxylic acid, diisononyl ester, Agnique AE 829, Bis(isononyl)cyclohexane 1,2-dicarboxylate, DHIN, DINCH, Diisononyl cyclohexane-1,2-dicarboxylate, Diisononyl hexahydrophthalate, EFKA PL 5456, Elatur CH, Flocare 35138, Hexamoll, Hexamoll DINCH, UniHydro UN 899; object_uuid=fo-87c3fb7ef43e6dc8 |
| 258,348 | consensus_match | cas_match_labels | — | {"166412-78-8":"exactMatch"} | group_key=1,2-bis(7-methyloctyl)(1r,2s)-cyclohexane-1,2-dicarboxylate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'166412-78-8': []}; assigned CAS labels from group consensus; object_uuid=fo-87c3fb7ef43e6dc8: {'166412-78-8': 'exactMatch'} |
| 278,500 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H46O4-2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H46O4-2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester' |
| 285,265 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H46O4-2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H46O4-2… | rdkit_post_consensus from 'CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 287,120 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H46O4-2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H46O4-2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 290,967 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester","@language":"en","source":{"prov:wasGeneratedBy":"c… | [{"@value":"1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester","@language":"en","source":{"prov:wasGeneratedBy":"c… | Removed 1 catalogue altLabel value(s): 'Flocare 35138' (trade name) |
| 362,988 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c0a028b6-9ece-… | associations resolved on the elementary layer |
| 401,535 | 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/20260820T1812399309960000/18487 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v0 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v1 |
| ef:activity/change/20260820T1812399309960000/18488 | name | ef:agent/bootstrap_labels | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v1 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v2 |
| ef:activity/change/20260820T1812399309960000/18489 | synonyms | ef:agent/bootstrap_labels | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v2 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v3 |
| ef:activity/change/20260820T1812399309960000/163938 | context | ef:agent/default_context_mapping | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v3 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v4 |
| ef:activity/change/20260820T1812399309960000/163939 | context_iri | ef:agent/default_context_mapping | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v4 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v5 |
| ef:activity/change/20260820T1812399309960000/219381 | unit_iri | ef:agent/unit_normalization | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v5 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v6 |
| ef:activity/change/20260820T1812399309960000/244447 | properties | ef:agent/enrich_references | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v6 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v7 |
| ef:activity/change/20260820T1812399309960000/244448 | skos_definition | ef:agent/enrich_references | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v7 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v8 |
| ef:activity/change/20260820T1812399309960000/244449 | references | ef:agent/enrich_references | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v8 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v9 |
| ef:activity/change/20260820T1812399309960000/253293 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v9 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v10 |
| ef:activity/change/20260820T1812399309960000/258347 | altLabel | ef:agent/consensus_match | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v10 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v11 |
| ef:activity/change/20260820T1812399309960000/258348 | cas_match_labels | ef:agent/consensus_match | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v11 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v12 |
| ef:activity/change/20260820T1812399309960000/278500 | properties | ef:agent/opsin_iupac | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v12 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v13 |
| ef:activity/change/20260820T1812399309960000/285265 | properties | ef:agent/rdkit_post_consensus | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v13 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v14 |
| ef:activity/change/20260820T1812399309960000/287120 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v14 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v15 |
| ef:activity/change/20260820T1812399309960000/290967 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v15 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v16 |
| ef:activity/change/20260820T1812399309960000/362988 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v16 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v17 |
| ef:activity/change/20260820T1812399309960000/401535 | types | ef:agent/link_flows_to_their_substance | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v17 | ef:flow/c0a028b6-9ece-46c0-a07b-04b1589b4ea6/v18 |