2-ethylhexyl Acetate
Everything that changed this flow. Back to the flow
f21411dd-6555-11dd-ad8b-0800200c9a66
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8897' (registry 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-ethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'103-09-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bc4be1484abbc1aa: {'103-09-3': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['103-09-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87392']; candidate_pubchem_cids=[7635, 560781]; selected_pubchem_cids=[7635]; 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 |
|---|---|---|---|---|---|
| 8,260 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhexyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 8,261 | bootstrap_labels | name | 2-ethylhexyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 8,262 | bootstrap_labels | synonyms | ["(+)-2-Ethylhexyl acetate",".beta.-ethylhexyl acetate","2-Ethyl-1-hexanol acetate","2-Ethyl-1-hexyl acetate","2-Ethylh… | [] | Removed legacy synonyms field in favor of structured labels |
| 194,394 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 194,395 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 216,089 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,040 | normalize_name_case | prefLabel | [{"@value":"2-ethylhexyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"2-ethylhexyl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,071 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,072 | enrich_references | skos_definition | — | [{"@value":"An acetate ester that is hexyl acetate substituted by an ethyl group at position 2.","@language":"en","prov… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,073 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J46.181D","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['103-09-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87392']; candidate_pubchem_cids=[7635, 560781]; selected_pubchem_cids=[7635]; 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 |
| 255,523 | chebi_altlabels | altLabel | [] | [{"@value":"2-Ethyl-1-hexanol acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,830 | consensus_match | altLabel | [{"@value":"2-Ethyl-1-hexanol acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-Ethyl-1-hexanol acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=2-ethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=103-09-3; added Common Chemistry CAS names as altLabel: 1-Hexanol, 2-ethyl-, acetate, 2-Ethyl-1-hexyl acetate, Acetic acid, 2-ethylhexyl ester, NSC 8897, OctASOLV, Octyl acetate, β-Ethylhexyl acetate; object_uuid=fo-bc4be1484abbc1aa |
| 260,831 | consensus_match | cas_match_labels | — | {"103-09-3":"exactMatch"} | group_key=2-ethylhexylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'103-09-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bc4be1484abbc1aa: {'103-09-3': 'exactMatch'} |
| 275,744 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-ethylhexyl Acetate' |
| 282,300 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | rdkit_post_consensus from 'CCCCC(CC)COC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,950 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethyl-1-hexanol acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-Ethyl-1-hexanol acetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 8897' (registry code) |
| 378,227 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f21411dd-6555-… | associations resolved on the elementary layer |
| 390,085 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20O2"]… | typed the way the ontology types it |
| 397,550 | 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/20260821T1122181958110000/8260 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260821T1122181958110000/8261 | name | ef:agent/bootstrap_labels | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260821T1122181958110000/8262 | synonyms | ef:agent/bootstrap_labels | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260821T1122181958110000/194394 | context | ef:agent/default_context_mapping | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260821T1122181958110000/194395 | context_iri | ef:agent/default_context_mapping | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260821T1122181958110000/216089 | unit_iri | ef:agent/unit_normalization | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260821T1122181958110000/223040 | prefLabel | ef:agent/normalize_name_case | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260821T1122181958110000/235071 | properties | ef:agent/enrich_references | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260821T1122181958110000/235072 | skos_definition | ef:agent/enrich_references | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260821T1122181958110000/235073 | references | ef:agent/enrich_references | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260821T1122181958110000/255523 | altLabel | ef:agent/chebi_altlabels | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260821T1122181958110000/260830 | altLabel | ef:agent/consensus_match | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260821T1122181958110000/260831 | cas_match_labels | ef:agent/consensus_match | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260821T1122181958110000/275744 | properties | ef:agent/opsin_iupac | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260821T1122181958110000/282300 | properties | ef:agent/rdkit_post_consensus | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260821T1122181958110000/288950 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260821T1122181958110000/378227 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260821T1122181958110000/390085 | properties | ef:agent/normalise_property_values | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260821T1122181958110000/397550 | types | ef:agent/link_flows_to_their_substance | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/f21411dd-6555-11dd-ad8b-0800200c9a66/v19 |