2-isocyanatoethyl Acrylate
Everything that changed this flow. Back to the flow
2894021d-219d-4f59-8a4f-f790101257f5
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=2-isocyanatoethylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=13641-96-8; added Common Chemistry CAS names as altLabel: 2-Acryloyloxyethyl isocyanate, 2-Isocyanatoethyl prop-2-enoate, 2-Propenoic acid, 2-isocyanatoethyl ester, AOI-VM, Acrylic acid, 2-isocyanatoethyl ester, Acrylic acid, ester with 2-hydroxyethyl isocyanate, Isocyanic acid 2-hydroxyethyl ester acrylate (ester), Karenz AOI, Karenz AOI-VM, β-Acryloxyethyl isocyanate; object_uuid=fo-8bd00196dc35095e |
| cas_match_labels | 1 | consensus_match | group_key=2-isocyanatoethylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'13641-96-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8bd00196dc35095e: {'13641-96-8': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['13641-96-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[3014768, 17775386]; selected_pubchem_cids=[3014768]; 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 |
|---|---|---|---|---|---|
| 19,497 | bootstrap_labels | prefLabel | — | [{"@value":"2-isocyanatoethyl acrylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 19,498 | bootstrap_labels | name | 2-isocyanatoethyl acrylate | — | Purged legacy name field to enforce prefLabel usage |
| 19,499 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 63,142 | 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 |
| 63,143 | 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 |
| 219,683 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,516 | normalize_name_case | prefLabel | [{"@value":"2-isocyanatoethyl acrylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"2-isocyanatoethyl Acrylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,294 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NO3"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,295 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,296 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J799.564D","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['13641-96-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[3014768, 17775386]; selected_pubchem_cids=[3014768]; 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 |
| 253,538 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NO3"],… | rdkit_pre_consensus from 'C=CC(=O)OCCN=C=O'; added: molecular_mass, monoisotopic_mass |
| 260,969 | consensus_match | altLabel | [] | [{"@value":"2-Acryloyloxyethyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=2-isocyanatoethylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=13641-96-8; added Common Chemistry CAS names as altLabel: 2-Acryloyloxyethyl isocyanate, 2-Isocyanatoethyl prop-2-enoate, 2-Propenoic acid, 2-isocyanatoethyl ester, AOI-VM, Acrylic acid, 2-isocyanatoethyl ester, Acrylic acid, ester with 2-hydroxyethyl isocyanate, Isocyanic acid 2-hydroxyethyl ester acrylate (ester), Karenz AOI, Karenz AOI-VM, β-Acryloxyethyl isocyanate; object_uuid=fo-8bd00196dc35095e |
| 260,970 | consensus_match | cas_match_labels | — | {"13641-96-8":"exactMatch"} | group_key=2-isocyanatoethylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'13641-96-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8bd00196dc35095e: {'13641-96-8': 'exactMatch'} |
| 278,752 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NO3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-isocyanatoethyl Acrylate' |
| 285,536 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NO3"],… | rdkit_post_consensus from 'C=CC(=O)OCCN=C=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 312,587 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2894021d-219d-… | associations resolved on the elementary layer |
| 393,119 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NO3"],… | typed the way the ontology types it |
| 401,912 | 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/20260821T1122181958110000/19497 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v0 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v1 |
| ef:activity/change/20260821T1122181958110000/19498 | name | ef:agent/bootstrap_labels | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v1 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v2 |
| ef:activity/change/20260821T1122181958110000/19499 | synonyms | ef:agent/bootstrap_labels | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v2 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v3 |
| ef:activity/change/20260821T1122181958110000/63142 | context | ef:agent/default_context_mapping | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v3 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v4 |
| ef:activity/change/20260821T1122181958110000/63143 | context_iri | ef:agent/default_context_mapping | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v4 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v5 |
| ef:activity/change/20260821T1122181958110000/219683 | unit_iri | ef:agent/unit_normalization | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v5 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v6 |
| ef:activity/change/20260821T1122181958110000/225516 | prefLabel | ef:agent/normalize_name_case | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v6 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v7 |
| ef:activity/change/20260821T1122181958110000/245294 | properties | ef:agent/enrich_references | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v7 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v8 |
| ef:activity/change/20260821T1122181958110000/245295 | skos_definition | ef:agent/enrich_references | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v8 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v9 |
| ef:activity/change/20260821T1122181958110000/245296 | references | ef:agent/enrich_references | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v9 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v10 |
| ef:activity/change/20260821T1122181958110000/253538 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v10 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v11 |
| ef:activity/change/20260821T1122181958110000/260969 | altLabel | ef:agent/consensus_match | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v11 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v12 |
| ef:activity/change/20260821T1122181958110000/260970 | cas_match_labels | ef:agent/consensus_match | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v12 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v13 |
| ef:activity/change/20260821T1122181958110000/278752 | properties | ef:agent/opsin_iupac | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v13 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v14 |
| ef:activity/change/20260821T1122181958110000/285536 | properties | ef:agent/rdkit_post_consensus | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v14 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v15 |
| ef:activity/change/20260821T1122181958110000/312587 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v15 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v16 |
| ef:activity/change/20260821T1122181958110000/393119 | properties | ef:agent/normalise_property_values | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v16 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v17 |
| ef:activity/change/20260821T1122181958110000/401912 | types | ef:agent/link_flows_to_their_substance | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v17 | ef:flow/2894021d-219d-4f59-8a4f-f790101257f5/v18 |