2,2-bis[(heptanoyloxy)methyl]butyl Heptanoate (non-preferred Name)
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-f32919c2baa57b86
Changes
56| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 21,459 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-bis[(heptanoyloxy)methyl]butyl heptanoate (non-preferred name)","@language":"en","source":{"prov:wasGen… | Bootstrapped prefLabel from legacy name field |
| 21,460 | bootstrap_labels | name | 2,2-bis[(heptanoyloxy)methyl]butyl heptanoate (non-preferred name) | — | Purged legacy name field to enforce prefLabel usage |
| 21,461 | bootstrap_labels | synonyms | ["organic","2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diylbisheptanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 75,729 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 75,730 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 108,787 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 108,788 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 122,515 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 122,516 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 138,835 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 138,836 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 139,715 | 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 |
| 139,716 | 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 |
| 142,139 | 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 |
| 142,140 | 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 |
| 149,365 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 149,366 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 154,905 | 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 |
| 154,906 | 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 |
| 155,755 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 155,756 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 160,037 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 160,038 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 182,073 | 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 |
| 182,074 | 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 |
| 184,051 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 184,052 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 188,513 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 188,514 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 220,227 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,949 | normalize_name_case | prefLabel | [{"@value":"2,2-bis[(heptanoyloxy)methyl]butyl heptanoate (non-preferred name)","@language":"en","source":{"prov:wasGen… | [{"@value":"2,2-bis[(heptanoyloxy)methyl]butyl Heptanoate (non-preferred Name)","@language":"en","source":{"prov:wasGen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,793 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,794 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,795 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J114.964D","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['78-16-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[66216]; selected_pubchem_cids=[66216]; 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 |
| 253,983 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | rdkit_pre_consensus from 'CCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC'; added: molecular_mass, monoisotopic_mass |
| 259,609 | consensus_match | altLabel | [] | [{"@value":"1,1,1-Trimethylolpropane triheptanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=2,2-bis[(heptanoyloxy)methyl]butylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; cas=78-16-0; added Common Chemistry CAS names as altLabel: 1,1,1-Trimethylolpropane triheptanoate, 1,1′-[2-Ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] diheptanoate, Basestock 704, Heptanoic acid, 1,1′-[2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester, Heptanoic acid, 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester, Heptanoic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, P 41, P 41 (ester), Reolube LT 2100, Trimethylolpropane triheptanoate; object_uuid=fo-f32919c2baa57b86 |
| 259,610 | consensus_match | cas_match_labels | — | {"78-16-0":"exactMatch"} | group_key=2,2-bis[(heptanoyloxy)methyl]butylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'78-16-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f32919c2baa57b86: {'78-16-0': 'exactMatch'} |
| 279,177 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,1-Trimethylolpropane triheptanoate' |
| 286,031 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6",… | rdkit_post_consensus from 'CCC(CO)(CO)CO.CCCCCCC(=O)O.CCCCCCC(=O)O.CCCCCCC(=O)O'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,715 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C27H50O6"]… | withhold_contradicted_composition: the registry registers [(('C', 27), ('O', 6))], contradicting ['C27H56O9'] from ['rdkit_post_consensus']; withdrew inchi2d_key_string x1, molecular_formula x1, molecular_mass x1, monoisotopic_mass x1 |
| 291,478 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,1-Trimethylolpropane triheptanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"1,1,1-Trimethylolpropane triheptanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | Removed 3 catalogue altLabel value(s): 'Basestock 704' (trade name), 'P 41' (grade code), 'P 41 (ester)' (grade code) |
| 318,919 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3b1c7d86-9ef4-… | associations resolved on the elementary layer |
| 335,429 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/63726984-0695-… | associations resolved on the elementary layer |
| 342,292 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7a5849e4-6e12-… | associations resolved on the elementary layer |
| 350,455 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/95e3c131-1f08-… | associations resolved on the elementary layer |
| 350,895 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9761e8f4-e228-… | associations resolved on the elementary layer |
| 352,108 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9b34a6fe-a194-… | associations resolved on the elementary layer |
| 355,737 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a77206e6-162e-… | associations resolved on the elementary layer |
| 358,508 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b0a50611-0c12-… | associations resolved on the elementary layer |
| 358,934 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b23d7e76-2e90-… | associations resolved on the elementary layer |