2-ethylhexyl Nitrate
Everything that changed this flow. Back to the flow
51cbabd8-363c-4803-a9c6-350d85bccad5
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 2 catalogue altLabel value(s): 'Hitec 4348' (trade name), 'Miakron 2000' (trade name) |
| 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-ethylhexylnitrate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'27247-96-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332ae7454bd40216: {'27247-96-7': '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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['27247-96-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[62823, 101291630]; selected_pubchem_cids=[62823]; 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 |
|---|---|---|---|---|---|
| 9,385 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhexyl nitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 9,386 | bootstrap_labels | name | 2-ethylhexyl nitrate | — | Purged legacy name field to enforce prefLabel usage |
| 9,387 | bootstrap_labels | synonyms | ["organic","2-ethylhexylnitrate","2-ehn","2-ethylhexylnitrate(micetâ®)","3-nitroxymethyl-heptane","cetaneimprover","ci-… | [] | Removed legacy synonyms field in favor of structured labels |
| 98,548 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 98,549 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 216,460 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,300 | normalize_name_case | prefLabel | [{"@value":"2-ethylhexyl nitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"2-ethylhexyl Nitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,156 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NO3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,157 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,158 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J154.004A","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['27247-96-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[62823, 101291630]; selected_pubchem_cids=[62823]; 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 |
| 250,897 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NO3"]… | rdkit_pre_consensus from 'CCCCC(CC)CO[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 260,846 | consensus_match | altLabel | [] | [{"@value":"2-Ethyl-1-hexyl nitrate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | group_key=2-ethylhexylnitrate||dimension=Environmental > media=Water > water_body=Surface water; cas=27247-96-7; added Common Chemistry CAS names as altLabel: 2-Ethyl-1-hexyl nitrate, 2-Ethylhexanol nitrate, Hitec 4348, Miakron 2000, Nitric acid, 2-ethylhexyl ester, Nitronal; object_uuid=fo-332ae7454bd40216 |
| 260,847 | consensus_match | cas_match_labels | — | {"27247-96-7":"exactMatch"} | group_key=2-ethylhexylnitrate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'27247-96-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-332ae7454bd40216: {'27247-96-7': 'exactMatch'} |
| 276,083 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NO3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-ethylhexyl Nitrate' |
| 282,655 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NO3"]… | rdkit_post_consensus from 'CCCCC(CC)CO[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,220 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethyl-1-hexyl nitrate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | [{"@value":"2-Ethyl-1-hexyl nitrate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | Removed 2 catalogue altLabel value(s): 'Hitec 4348' (trade name), 'Miakron 2000' (trade name) |
| 330,270 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/51cbabd8-363c-… | associations resolved on the elementary layer |
| 390,427 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H17NO3"]… | typed the way the ontology types it |
| 398,033 | 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/20260821T1122181958110000/9385 | prefLabel | ef:agent/bootstrap_labels | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v0 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v1 |
| ef:activity/change/20260821T1122181958110000/9386 | name | ef:agent/bootstrap_labels | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v1 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v2 |
| ef:activity/change/20260821T1122181958110000/9387 | synonyms | ef:agent/bootstrap_labels | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v2 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v3 |
| ef:activity/change/20260821T1122181958110000/98548 | context | ef:agent/default_context_mapping | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v3 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v4 |
| ef:activity/change/20260821T1122181958110000/98549 | context_iri | ef:agent/default_context_mapping | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v4 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v5 |
| ef:activity/change/20260821T1122181958110000/216460 | unit_iri | ef:agent/unit_normalization | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v5 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v6 |
| ef:activity/change/20260821T1122181958110000/223300 | prefLabel | ef:agent/normalize_name_case | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v6 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v7 |
| ef:activity/change/20260821T1122181958110000/236156 | properties | ef:agent/enrich_references | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v7 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v8 |
| ef:activity/change/20260821T1122181958110000/236157 | skos_definition | ef:agent/enrich_references | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v8 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v9 |
| ef:activity/change/20260821T1122181958110000/236158 | references | ef:agent/enrich_references | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v9 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v10 |
| ef:activity/change/20260821T1122181958110000/250897 | properties | ef:agent/rdkit_pre_consensus | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v10 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v11 |
| ef:activity/change/20260821T1122181958110000/260846 | altLabel | ef:agent/consensus_match | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v11 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v12 |
| ef:activity/change/20260821T1122181958110000/260847 | cas_match_labels | ef:agent/consensus_match | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v12 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v13 |
| ef:activity/change/20260821T1122181958110000/276083 | properties | ef:agent/opsin_iupac | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v13 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v14 |
| ef:activity/change/20260821T1122181958110000/282655 | properties | ef:agent/rdkit_post_consensus | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v14 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v15 |
| ef:activity/change/20260821T1122181958110000/289220 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v15 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v16 |
| ef:activity/change/20260821T1122181958110000/330270 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v16 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v17 |
| ef:activity/change/20260821T1122181958110000/390427 | properties | ef:agent/normalise_property_values | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v17 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v18 |
| ef:activity/change/20260821T1122181958110000/398033 | types | ef:agent/link_flows_to_their_substance | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v18 | ef:flow/51cbabd8-363c-4803-a9c6-350d85bccad5/v19 |