3,3'-[butane-1,4-diylbis(oxy)]dipropan-1-amine
Everything that changed this flow. Back to the flow
e51624cd-14e9-435b-abf1-4897f1b87646
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'B 12' (grade code), 'EC 280' (grade code), 'NDPA 12' (grade code), 'NSC 36635' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3,3'-[butane-1,4-diylbis(oxy)]dipropan-1-amine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'7300-34-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-339f2862414fff8b: {'7300-34-7': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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=['7300-34-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[81729, 6993845, 21115777, 135432558]; selected_pubchem_cids=[81729]; 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 |
|---|---|---|---|---|---|
| 20,163 | bootstrap_labels | prefLabel | — | [{"@value":"3,3'-[butane-1,4-diylbis(oxy)]dipropan-1-amine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap… | Bootstrapped prefLabel from legacy name field |
| 20,164 | bootstrap_labels | name | 3,3'-[butane-1,4-diylbis(oxy)]dipropan-1-amine | — | Purged legacy name field to enforce prefLabel usage |
| 20,165 | bootstrap_labels | synonyms | ["organic","3,3'","-[butane-1,4-diylbis(oxy)]bispropanamine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 186,980 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 186,981 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 219,880 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 245,843 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,844 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,845 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.717G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['7300-34-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[81729, 6993845, 21115777, 135432558]; selected_pubchem_cids=[81729]; 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 |
| 253,695 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N2O2… | rdkit_pre_consensus from 'C(CCOCCCN)COCCCN'; added: molecular_mass, monoisotopic_mass |
| 261,423 | consensus_match | altLabel | [] | [{"@value":"1,12-Diamine-4,9-dioxadodecane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=3,3'-[butane-1,4-diylbis(oxy)]dipropan-1-amine||dimension=Environmental > media=Water > water_body=Surface water; cas=7300-34-7; added Common Chemistry CAS names as altLabel: 1,12-Diamine-4,9-dioxadodecane, 1,12-Diamino-4,9-dioxadodecane, 1,4-Bis(3-aminopropoxy)butane, 1,4-Bis(γ-aminopropoxy)butane, 1,4-Butanediol bis(3-aminopropyl) ether, 1-Propanamine, 3,3′-[1,4-butanediylbis(oxy)]bis-, 3,3′-(Butane-1,4-diylbis(oxy))bis(propan-1-amine), 3,3′-(Tetramethylenedioxy)bis(propylamine), 3,3′-(Tetramethylenedioxy)di(propanamine), 3,3′-[1,4-Butanediylbis(oxy)]bis[1-propanamine], 4,9-Dioxa-1,12-diaminododecane, 4,9-Dioxa-1,12-dodecanediamine, B 12, Baxxodur EC 280, EC 280, NDPA 12, NSC 36635, Propylamine, 3,3′-(tetramethylenedioxy)bis-, α,ω-Diamino-4,9-dioxadodecane; object_uuid=fo-339f2862414fff8b |
| 261,424 | consensus_match | cas_match_labels | — | {"7300-34-7":"exactMatch"} | group_key=3,3'-[butane-1,4-diylbis(oxy)]dipropan-1-amine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'7300-34-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-339f2862414fff8b: {'7300-34-7': 'exactMatch'} |
| 278,908 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,3'-[butane-1,4-diylbis(oxy)]dipropan-1-amine' |
| 285,716 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N2O2… | rdkit_post_consensus from 'NCCCOCCCCOCCCN'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,276 | strip_catalogue_altlabels | altLabel | [{"@value":"1,12-Diamine-4,9-dioxadodecane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | [{"@value":"1,12-Diamine-4,9-dioxadodecane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | Removed 4 catalogue altLabel value(s): 'B 12' (grade code), 'EC 280' (grade code), 'NDPA 12' (grade code), 'NSC 36635' (registry code) |
| 374,518 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e51624cd-14e9-… | associations resolved on the elementary layer |
| 393,288 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H24N2O2… | typed the way the ontology types it |
| 402,172 | 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/20260821T1302361922970000/20163 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v0 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v1 |
| ef:activity/change/20260821T1302361922970000/20164 | name | ef:agent/bootstrap_labels | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v1 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v2 |
| ef:activity/change/20260821T1302361922970000/20165 | synonyms | ef:agent/bootstrap_labels | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v2 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v3 |
| ef:activity/change/20260821T1302361922970000/186980 | context | ef:agent/default_context_mapping | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v3 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v4 |
| ef:activity/change/20260821T1302361922970000/186981 | context_iri | ef:agent/default_context_mapping | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v4 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v5 |
| ef:activity/change/20260821T1302361922970000/219880 | unit_iri | ef:agent/unit_normalization | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v5 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v6 |
| ef:activity/change/20260821T1302361922970000/245843 | properties | ef:agent/enrich_references | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v6 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v7 |
| ef:activity/change/20260821T1302361922970000/245844 | skos_definition | ef:agent/enrich_references | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v7 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v8 |
| ef:activity/change/20260821T1302361922970000/245845 | references | ef:agent/enrich_references | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v8 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v9 |
| ef:activity/change/20260821T1302361922970000/253695 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v9 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v10 |
| ef:activity/change/20260821T1302361922970000/261423 | altLabel | ef:agent/consensus_match | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v10 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v11 |
| ef:activity/change/20260821T1302361922970000/261424 | cas_match_labels | ef:agent/consensus_match | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v11 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v12 |
| ef:activity/change/20260821T1302361922970000/278908 | properties | ef:agent/opsin_iupac | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v12 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v13 |
| ef:activity/change/20260821T1302361922970000/285716 | properties | ef:agent/rdkit_post_consensus | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v13 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v14 |
| ef:activity/change/20260821T1302361922970000/291276 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v14 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v15 |
| ef:activity/change/20260821T1302361922970000/374518 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v15 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v16 |
| ef:activity/change/20260821T1302361922970000/393288 | properties | ef:agent/normalise_property_values | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v16 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v17 |
| ef:activity/change/20260821T1302361922970000/402172 | types | ef:agent/link_flows_to_their_substance | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v17 | ef:flow/e51624cd-14e9-435b-abf1-4897f1b87646/v18 |