2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate)
Everything that changed this flow. Back to the flow
bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8
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 7 catalogue altLabel value(s): 'C 16' (grade code), 'CS 16' (grade code), 'NX 800' (grade code), 'NX 800 (coalescing agent)' (grade code), 'OE 300' (grade code), 'Optifilm Enhancer 300' (trade name), 'RTC 16' (grade 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=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6846-50-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-733d86c2ec086937: {'6846-50-0': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['6846-50-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[23284, 53249690, 53400269]; selected_pubchem_cids=[23284]; 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 |
|---|---|---|---|---|---|
| 4,859 | bootstrap_labels | prefLabel | — | [{"@value":"2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)","@language":"en","source":{"prov:wasGeneratedBy":"… | Bootstrapped prefLabel from legacy name field |
| 4,860 | bootstrap_labels | name | 2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate) | — | Purged legacy name field to enforce prefLabel usage |
| 4,861 | bootstrap_labels | synonyms | ["organic","1-isopropyl-2,2-dimethyltrimethylenediisobutyrate","eastmantxibtm"] | [] | Removed legacy synonyms field in favor of structured labels |
| 163,036 | 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 |
| 163,037 | 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 |
| 214,962 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,213 | normalize_name_case | prefLabel | [{"@value":"2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate)","@language":"en","source":{"prov:wasGeneratedBy":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,846 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,847 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,848 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.698A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['6846-50-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[23284, 53249690, 53400269]; selected_pubchem_cids=[23284]; 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 |
| 249,656 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | rdkit_pre_consensus from 'CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C'; added: molecular_mass, monoisotopic_mass |
| 259,578 | consensus_match | altLabel | [] | [{"@value":"1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"consens… | group_key=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; cas=6846-50-0; added Common Chemistry CAS names as altLabel: 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate, 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid diester, 2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate), 2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate), 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, 2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate, 2,2,4-Trimethylpentane 1,3-diisobutanoate, 2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate), C 16, CS 16, Eastman OE 300, Eastman TXIB, Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester, Kodaflex TXIB, Kyowanol D, Kyowanol M, NX 800, NX 800 (coalescing agent), OE 300, Optifilm Enhancer 300, Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester, Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester, RTC 16, TXIB, Texanol OE 300, Texanol isobutyrate, [2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate; object_uuid=fo-733d86c2ec086937 |
| 259,579 | consensus_match | cas_match_labels | — | {"6846-50-0":"exactMatch"} | group_key=2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6846-50-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-733d86c2ec086937: {'6846-50-0': 'exactMatch'} |
| 274,788 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate)' |
| 281,253 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | rdkit_post_consensus from 'CC(C)C(=O)OCC(C)(C)C(OC(=O)C(C)C)C(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,247 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"consens… | [{"@value":"1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate","@language":"en","source":{"prov:wasGeneratedBy":"consens… | Removed 7 catalogue altLabel value(s): 'C 16' (grade code), 'CS 16' (grade code), 'NX 800' (grade code), 'NX 800 (coalescing agent)' (grade code), 'OE 300' (grade code), 'Optifilm Enhancer 300' (trade name), 'RTC 16' (grade code) |
| 362,535 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/bf10589b-061a-… | associations resolved on the elementary layer |
| 389,090 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O4"]… | typed the way the ontology types it |
| 396,102 | 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/20260821T0609040591070000/4859 | prefLabel | ef:agent/bootstrap_labels | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v0 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v1 |
| ef:activity/change/20260821T0609040591070000/4860 | name | ef:agent/bootstrap_labels | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v1 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v2 |
| ef:activity/change/20260821T0609040591070000/4861 | synonyms | ef:agent/bootstrap_labels | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v2 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v3 |
| ef:activity/change/20260821T0609040591070000/163036 | context | ef:agent/default_context_mapping | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v3 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v4 |
| ef:activity/change/20260821T0609040591070000/163037 | context_iri | ef:agent/default_context_mapping | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v4 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v5 |
| ef:activity/change/20260821T0609040591070000/214962 | unit_iri | ef:agent/unit_normalization | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v5 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v6 |
| ef:activity/change/20260821T0609040591070000/222213 | prefLabel | ef:agent/normalize_name_case | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v6 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v7 |
| ef:activity/change/20260821T0609040591070000/231846 | properties | ef:agent/enrich_references | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v7 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v8 |
| ef:activity/change/20260821T0609040591070000/231847 | skos_definition | ef:agent/enrich_references | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v8 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v9 |
| ef:activity/change/20260821T0609040591070000/231848 | references | ef:agent/enrich_references | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v9 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v10 |
| ef:activity/change/20260821T0609040591070000/249656 | properties | ef:agent/rdkit_pre_consensus | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v10 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v11 |
| ef:activity/change/20260821T0609040591070000/259578 | altLabel | ef:agent/consensus_match | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v11 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v12 |
| ef:activity/change/20260821T0609040591070000/259579 | cas_match_labels | ef:agent/consensus_match | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v12 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v13 |
| ef:activity/change/20260821T0609040591070000/274788 | properties | ef:agent/opsin_iupac | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v13 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v14 |
| ef:activity/change/20260821T0609040591070000/281253 | properties | ef:agent/rdkit_post_consensus | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v14 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v15 |
| ef:activity/change/20260821T0609040591070000/288247 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v15 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v16 |
| ef:activity/change/20260821T0609040591070000/362535 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v16 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v17 |
| ef:activity/change/20260821T0609040591070000/389090 | properties | ef:agent/normalise_property_values | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v17 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v18 |
| ef:activity/change/20260821T0609040591070000/396102 | types | ef:agent/link_flows_to_their_substance | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v18 | ef:flow/bf10589b-061a-4c4e-96a9-5ef8ebd3b5c8/v19 |