2,3-epoxypropyl Neodecanoate
Everything that changed this flow. Back to the flow
7b5295f0-3535-4318-82f2-d40026ba8162
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 5 catalogue altLabel value(s): 'CRE 00343' (grade code), 'E 10' (grade code), 'E 10P' (grade code), 'Epoxide 248' (trade name), 'GS 110' (grade code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=2,3-epoxypropylneodecanoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'26761-45-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-91a405a66585b36c: {'26761-45-5': '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=['26761-45-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[33600, 92382, 211641, 558768, 92169848]; selected_pubchem_cids=[33600, 92169848]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,048 | bootstrap_labels | prefLabel | — | [{"@value":"2,3-epoxypropyl neodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 22,049 | bootstrap_labels | name | 2,3-epoxypropyl neodecanoate | — | Purged legacy name field to enforce prefLabel usage |
| 22,050 | bootstrap_labels | synonyms | ["1-Propanol, 2,3-epoxy-, neodecanoate","AC1L1PX8","Cardura E 10","Cardura E 10P","Cardura E 10S","Epoxide 248","Glycid… | [] | Removed legacy synonyms field in favor of structured labels |
| 122,990 | 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 |
| 122,991 | 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 |
| 220,384 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,070 | normalize_name_case | prefLabel | [{"@value":"2,3-epoxypropyl neodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"2,3-epoxypropyl Neodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,233 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H24O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 247,234 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,235 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.465.556A","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['26761-45-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[33600, 92382, 211641, 558768, 92169848]; selected_pubchem_cids=[33600, 92169848]; 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 |
| 254,102 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H24O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H24O3"]… | rdkit_pre_consensus from 'CCCCCCC(C)(C)C(=O)OCC1CO1'; added: molecular_mass, monoisotopic_mass |
| 259,811 | consensus_match | altLabel | [] | [{"@value":"1-Propanol, 2,3-epoxy-, neodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | group_key=2,3-epoxypropylneodecanoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=26761-45-5; added Common Chemistry CAS names as altLabel: 1-Propanol, 2,3-epoxy-, neodecanoate, CRE 00343, Cardura E 10, Cardura E 10J, Cardura E 10P, Cardura E 10S, Cardura N 10, E 10, E 10P, Epoxide 248, Erisys GS 110, GS 110, Glycidyl neodecanoate, Glycidyl versatate, Glydexx N 10, Heloxy 11, Neodecanoic acid, 2,3-epoxypropyl ester, Neodecanoic acid, 2-oxiranylmethyl ester, Neodecanoic acid, oxiranylmethyl ester, Shigena 10P, Shigena TM 10, Vinnol 15/45; object_uuid=fo-91a405a66585b36c |
| 259,812 | consensus_match | cas_match_labels | — | {"26761-45-5":"exactMatch"} | group_key=2,3-epoxypropylneodecanoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'26761-45-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-91a405a66585b36c: {'26761-45-5': 'exactMatch'} |
| 279,299 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H24O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H24O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,3-epoxypropyl Neodecanoate' |
| 286,169 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H24O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H24O3"]… | rdkit_post_consensus from 'CC(C)(C)CCCCCC(=O)OCC1CO1'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,211 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H24O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H24O3"]… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,555 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Propanol, 2,3-epoxy-, neodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | [{"@value":"1-Propanol, 2,3-epoxy-, neodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | Removed 5 catalogue altLabel value(s): 'CRE 00343' (grade code), 'E 10' (grade code), 'E 10P' (grade code), 'Epoxide 248' (trade name), 'GS 110' (grade code) |
| 342,486 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7b5295f0-3535-… | associations resolved on the elementary layer |
| 402,822 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T0609040591070000/22048 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v0 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v1 |
| ef:activity/change/20260821T0609040591070000/22049 | name | ef:agent/bootstrap_labels | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v1 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v2 |
| ef:activity/change/20260821T0609040591070000/22050 | synonyms | ef:agent/bootstrap_labels | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v2 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v3 |
| ef:activity/change/20260821T0609040591070000/122990 | context | ef:agent/default_context_mapping | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v3 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v4 |
| ef:activity/change/20260821T0609040591070000/122991 | context_iri | ef:agent/default_context_mapping | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v4 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v5 |
| ef:activity/change/20260821T0609040591070000/220384 | unit_iri | ef:agent/unit_normalization | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v5 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v6 |
| ef:activity/change/20260821T0609040591070000/226070 | prefLabel | ef:agent/normalize_name_case | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v6 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v7 |
| ef:activity/change/20260821T0609040591070000/247233 | properties | ef:agent/enrich_references | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v7 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v8 |
| ef:activity/change/20260821T0609040591070000/247234 | skos_definition | ef:agent/enrich_references | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v8 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v9 |
| ef:activity/change/20260821T0609040591070000/247235 | references | ef:agent/enrich_references | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v9 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v10 |
| ef:activity/change/20260821T0609040591070000/254102 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v10 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v11 |
| ef:activity/change/20260821T0609040591070000/259811 | altLabel | ef:agent/consensus_match | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v11 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v12 |
| ef:activity/change/20260821T0609040591070000/259812 | cas_match_labels | ef:agent/consensus_match | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v12 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v13 |
| ef:activity/change/20260821T0609040591070000/279299 | properties | ef:agent/opsin_iupac | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v13 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v14 |
| ef:activity/change/20260821T0609040591070000/286169 | properties | ef:agent/rdkit_post_consensus | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v14 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v15 |
| ef:activity/change/20260821T0609040591070000/287211 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v15 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v16 |
| ef:activity/change/20260821T0609040591070000/291555 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v16 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v17 |
| ef:activity/change/20260821T0609040591070000/342486 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v17 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v18 |
| ef:activity/change/20260821T0609040591070000/402822 | types | ef:agent/link_flows_to_their_substance | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v18 | ef:flow/7b5295f0-3535-4318-82f2-d40026ba8162/v19 |