Isobutyric Acid, Monoester With 2,2,4-trimethylpentane-1,3-diol
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-56c0c46e7659aecb
Changes
56| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,084 | bootstrap_labels | prefLabel | — | [{"@value":"isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol","@language":"en","source":{"prov:wasGenera… | Bootstrapped prefLabel from legacy name field |
| 11,085 | bootstrap_labels | name | isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol | — | Purged legacy name field to enforce prefLabel usage |
| 11,086 | bootstrap_labels | synonyms | ["(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate","1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate","1,3-Pentane… | [] | Removed legacy synonyms field in favor of structured labels |
| 14,256 | bootstrap_labels | synonyms | ["isobutyricacid,monoesterwith2,2,4-trimethylpentane-1,3-diol","texanol","propanoic acid, 2-methyl-, monoester with 2,2… | [] | Removed legacy synonyms field in favor of structured labels |
| 43,839 | 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) |
| 43,840 | 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) |
| 49,053 | 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 |
| 49,054 | 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 |
| 81,727 | 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 |
| 81,728 | 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 |
| 104,725 | 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 |
| 104,726 | 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 |
| 105,235 | 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 |
| 105,236 | 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 |
| 107,421 | 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 |
| 107,422 | 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 |
| 110,799 | 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 |
| 110,800 | 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 |
| 123,839 | 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 |
| 123,840 | 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 |
| 136,963 | 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 |
| 136,964 | 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 |
| 145,837 | 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 |
| 145,838 | 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 |
| 147,051 | 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 |
| 147,052 | 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 |
| 149,527 | 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 |
| 149,528 | 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 |
| 200,831 | 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) |
| 200,832 | 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) |
| 217,017 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,684 | normalize_name_case | prefLabel | [{"@value":"isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol","@language":"en","source":{"prov:wasGenera… | [{"@value":"Isobutyric Acid, Monoester With 2,2,4-trimethylpentane-1,3-diol","@language":"en","source":{"prov:wasGenera… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,731 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3",… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=3) |
| 237,732 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,733 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.598J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['25265-77-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[6490, 62794, 86755, 45052152]; selected_pubchem_cids=[6490, 62794, 45052152]; 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 |
| 251,353 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3",… | rdkit_pre_consensus from 'CC(C)C(C(C)(C)CO)O.CC(C)C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 268,083 | consensus_match | altLabel | [] | [{"@value":"2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid monoester","@language":"en","source":{"prov:wasGener… | group_key=isobutyricacid,monoesterwith2,2,4-trimethylpentane-1,3-diol||dimension=Environmental > media=Water > water_body=Long-term; cas=25265-77-4; added Common Chemistry CAS names as altLabel: 2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid monoester, 2,2,4-Trimethyl-1,3-pentanediol mono(2-methylpropanoate), 2,2,4-Trimethyl-1,3-pentanediol monoisobutylate, 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate, AD 82, Alcohol ester 12, C 12, CS 12, Chissocizer CS 12, DN 12, Ester 12, G 12, GRSHY 1800, Haltanol, Isobutyraldehyde Tishchenko trimer, Isobutyric acid, ester with 2,2,4-trimethyl-1,3-pentanediol, J 1902, LD 506, NX 795, Nexcoat NX 795, Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol, RTC 12, Ruanta C 12, T 112, T 112 (ester), Texanol, Texanol AD 82, Texanol Ester Alcohol, Ucar Filmer IBT, XS 12; object_uuid=fo-56c0c46e7659aecb |
| 268,084 | consensus_match | cas_match_labels | — | {"25265-77-4":"exactMatch"} | group_key=isobutyricacid,monoesterwith2,2,4-trimethylpentane-1,3-diol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25265-77-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-56c0c46e7659aecb: {'25265-77-4': 'exactMatch'} |
| 276,535 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3",… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2,4-Trimethyl-1,3-pentanediol mono(2-methylpropanoate)' |
| 283,149 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3",… | rdkit_post_consensus from 'CC(C)C(=O)O.CC(C)C(O)C(C)(C)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,963 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H24O3",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 289,565 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid monoester","@language":"en","source":{"prov:wasGener… | [{"@value":"2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid monoester","@language":"en","source":{"prov:wasGener… | Removed 12 catalogue altLabel value(s): 'AD 82' (grade code), 'C 12' (grade code), 'CS 12' (grade code), 'DN 12' (grade code), 'G 12' (grade code), 'J 1902' (grade code), 'LD 506' (grade code), 'NX 795' (grade code), 'RTC 12' (grade code), 'T 112' (grade code), 'T 112 (ester)' (grade code), 'XS 12' (grade code) |
| 302,986 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0c819416-49fd-… | associations resolved on the elementary layer |
| 305,594 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/13cf13cf-e570-… | associations resolved on the elementary layer |
| 321,917 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/43eb74a8-fe52-… | associations resolved on the elementary layer |
| 333,397 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5c7d7549-7617-… | associations resolved on the elementary layer |
| 333,653 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5d673d89-5901-… | associations resolved on the elementary layer |
| 334,746 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/61186d58-2b90-… | associations resolved on the elementary layer |
| 336,436 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/667a18c4-d0de-… | associations resolved on the elementary layer |
| 342,954 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7cb42207-2f1d-… | associations resolved on the elementary layer |