2,2,4-trimethylpentane-1,3-diyl Bis(2-methylpropanoate)
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-733d86c2ec086937
Changes
55| # | 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 |
| 30,241 | 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 |
| 30,242 | 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 |
| 31,197 | 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 |
| 31,198 | 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 |
| 45,551 | 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 |
| 45,552 | 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 |
| 53,129 | 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 |
| 53,130 | 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 |
| 96,915 | 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 |
| 96,916 | 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 |
| 117,125 | 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) |
| 117,126 | 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) |
| 144,223 | 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 |
| 144,224 | 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 |
| 145,013 | 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 |
| 145,014 | 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 |
| 145,781 | 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 |
| 145,782 | 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 |
| 150,669 | 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 |
| 150,670 | 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 |
| 157,187 | 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) |
| 157,188 | 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) |
| 163,039 | 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 |
| 163,040 | 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 |
| 188,329 | 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 |
| 188,330 | 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 |
| 214,965 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,217 | 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) |
| 231,850 | 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) |
| 231,851 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,852 | 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 |
| 249,663 | 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 |
| 259,581 | 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 |
| 259,582 | 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'} |
| 274,795 | 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)' |
| 281,265 | 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 |
| 288,267 | 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) |
| 296,198 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/05df8041-065a-… | associations resolved on the elementary layer |
| 296,676 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/077e44ca-e77e-… | associations resolved on the elementary layer |
| 303,840 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0dcd5fa7-6cf2-… | associations resolved on the elementary layer |
| 307,630 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/192a9fa4-71f6-… | associations resolved on the elementary layer |
| 329,491 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4f06e79d-b134-… | associations resolved on the elementary layer |
| 339,596 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/71201958-985c-… | associations resolved on the elementary layer |
| 353,148 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9ed12014-6bc3-… | associations resolved on the elementary layer |
| 353,543 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a01a551d-2bbd-… | associations resolved on the elementary layer |
| 353,927 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a1627970-052f-… | associations resolved on the elementary layer |
| 356,387 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a9978e40-5d43-… | associations resolved on the elementary layer |