(4-chloro-1,1-diethoxybutyl)silane
Everything that changed this flow. Back to the flow
dd73c851-2bef-4f82-b2f9-99a1acbe1649
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 2 catalogue altLabel value(s): 'DB 220' (grade code), 'YDH 701' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=(4-chloro-1,1-diethoxybutyl)silane||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'13501-76-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-821d0f036a007cdb: {'13501-76-3': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 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=['13501-76-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[83536, 53400849, 57348094]; selected_pubchem_cids=[83536]; 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 |
|---|---|---|---|---|---|
| 5,710 | bootstrap_labels | prefLabel | — | [{"@value":"(4-chloro-1,1-diethoxybutyl)silane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pr… | Bootstrapped prefLabel from legacy name field |
| 5,711 | bootstrap_labels | name | (4-chloro-1,1-diethoxybutyl)silane | — | Purged legacy name field to enforce prefLabel usage |
| 5,712 | bootstrap_labels | synonyms | ["organometallic","(3-chloropropyl)diethoxymethylsilane","dynasylancpmdeo"] | [] | Removed legacy synonyms field in favor of structured labels |
| 181,766 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 181,767 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 215,252 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,683 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H19ClO2S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,684 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,685 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.033.465","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['13501-76-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[83536, 53400849, 57348094]; selected_pubchem_cids=[83536]; 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 |
| 249,906 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H19ClO2S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H19ClO2S… | rdkit_pre_consensus from 'CCO[Si](C)(CCCCl)OCC'; added: molecular_mass, monoisotopic_mass |
| 257,765 | consensus_match | altLabel | [] | [{"@value":"(3-Chloropropyl)diethoxymethylsilane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | group_key=(4-chloro-1,1-diethoxybutyl)silane||dimension=Environmental > media=Air > strata=Long-term; cas=13501-76-3; added Common Chemistry CAS names as altLabel: (3-Chloropropyl)diethoxymethylsilane, (γ-Chloropropyl)diethoxymethylsilane, 3-Chloropropylmethyldiethoxysilane, DB 220, FX-M 01868, Silane, (3-chloropropyl)diethoxymethyl-, YDH 701; object_uuid=fo-821d0f036a007cdb |
| 257,766 | consensus_match | cas_match_labels | — | {"13501-76-3":"exactMatch"} | group_key=(4-chloro-1,1-diethoxybutyl)silane||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'13501-76-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-821d0f036a007cdb: {'13501-76-3': 'exactMatch'} |
| 275,056 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H19ClO2S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H19ClO2S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(3-Chloropropyl)diethoxymethylsilane' |
| 281,543 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H19ClO2S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H19ClO2S… | rdkit_post_consensus from 'CCOC(OCC)[SiH2]CCCCl'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,858 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H19ClO2S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H19ClO2S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 288,439 | strip_catalogue_altlabels | altLabel | [{"@value":"(3-Chloropropyl)diethoxymethylsilane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | [{"@value":"(3-Chloropropyl)diethoxymethylsilane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | Removed 2 catalogue altLabel value(s): 'DB 220' (grade code), 'YDH 701' (grade code) |
| 371,929 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/dd73c851-2bef-… | associations resolved on the elementary layer |
| 396,468 | 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/20260820T1416470405690000/5710 | prefLabel | ef:agent/bootstrap_labels | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v0 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v1 |
| ef:activity/change/20260820T1416470405690000/5711 | name | ef:agent/bootstrap_labels | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v1 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v2 |
| ef:activity/change/20260820T1416470405690000/5712 | synonyms | ef:agent/bootstrap_labels | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v2 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v3 |
| ef:activity/change/20260820T1416470405690000/181766 | context | ef:agent/default_context_mapping | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v3 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v4 |
| ef:activity/change/20260820T1416470405690000/181767 | context_iri | ef:agent/default_context_mapping | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v4 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v5 |
| ef:activity/change/20260820T1416470405690000/215252 | unit_iri | ef:agent/unit_normalization | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v5 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v6 |
| ef:activity/change/20260820T1416470405690000/232683 | properties | ef:agent/enrich_references | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v6 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v7 |
| ef:activity/change/20260820T1416470405690000/232684 | skos_definition | ef:agent/enrich_references | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v7 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v8 |
| ef:activity/change/20260820T1416470405690000/232685 | references | ef:agent/enrich_references | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v8 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v9 |
| ef:activity/change/20260820T1416470405690000/249906 | properties | ef:agent/rdkit_pre_consensus | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v9 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v10 |
| ef:activity/change/20260820T1416470405690000/257765 | altLabel | ef:agent/consensus_match | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v10 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v11 |
| ef:activity/change/20260820T1416470405690000/257766 | cas_match_labels | ef:agent/consensus_match | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v11 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v12 |
| ef:activity/change/20260820T1416470405690000/275056 | properties | ef:agent/opsin_iupac | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v12 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v13 |
| ef:activity/change/20260820T1416470405690000/281543 | properties | ef:agent/rdkit_post_consensus | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v13 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v14 |
| ef:activity/change/20260820T1416470405690000/286858 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v14 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v15 |
| ef:activity/change/20260820T1416470405690000/288439 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v15 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v16 |
| ef:activity/change/20260820T1416470405690000/371929 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v16 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v17 |
| ef:activity/change/20260820T1416470405690000/396468 | types | ef:agent/link_flows_to_their_substance | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v17 | ef:flow/dd73c851-2bef-4f82-b2f9-99a1acbe1649/v18 |