Isobutyl (S)-2-chloropropionate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-c3f6275fec6e5cb6
Changes
65| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,714 | bootstrap_labels | prefLabel | — | [{"@value":"isobutyl (S)-2-chloropropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 11,715 | bootstrap_labels | name | isobutyl (S)-2-chloropropionate | — | Purged legacy name field to enforce prefLabel usage |
| 11,716 | bootstrap_labels | synonyms | ["2-methylpropyl (2S)-2-chloropropanoate","AC1L4IV8","Propanoic acid, 2-chloro-, 2-methylpropyl ester, (2S)-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 22,385 | bootstrap_labels | prefLabel | — | [{"@value":"isobutyl (s)-2-chloropropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 22,386 | bootstrap_labels | name | isobutyl (s)-2-chloropropionate | — | Purged legacy name field to enforce prefLabel usage |
| 22,387 | bootstrap_labels | synonyms | ["isobutyl(s)-2-chloropropionate","isobutyl (s)-2-chloropropionate","2-methylpropyl (2s)-2-chloropropanoate","isobutyl… | [] | Removed legacy synonyms field in favor of structured labels |
| 45,392 | 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 |
| 45,393 | 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 |
| 70,028 | 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 |
| 70,029 | 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 |
| 82,912 | 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) |
| 82,913 | 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) |
| 86,230 | 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 |
| 86,231 | 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 |
| 97,464 | 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) |
| 97,465 | 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) |
| 111,162 | 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 |
| 111,163 | 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 |
| 116,274 | 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 |
| 116,275 | 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 |
| 119,110 | 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 |
| 119,111 | 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 |
| 162,516 | 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 |
| 162,517 | 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 |
| 171,000 | 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 |
| 171,001 | 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 |
| 173,308 | 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 |
| 173,309 | 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 |
| 182,616 | 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 |
| 182,617 | 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 |
| 197,938 | 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 |
| 197,939 | 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 |
| 217,224 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,807 | normalize_name_case | prefLabel | [{"@value":"isobutyl (S)-2-chloropropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Isobutyl (S)-2-chloropropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,130 | normalize_name_case | prefLabel | [{"@value":"isobutyl (s)-2-chloropropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Isobutyl (s)-2-chloropropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,332 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,333 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,334 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J138.304C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['83261-15-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[123551, 157891]; selected_pubchem_cids=[157891]; 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 |
| 251,522 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | rdkit_pre_consensus from 'CC(C)COC(=O)C(C)Cl'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 268,059 | consensus_match | altLabel | [] | [{"@value":"(<em>S</em>)-2-Chloropropionic acid 2-methylpropyl ester","@language":"en","source":{"prov:wasGeneratedBy":… | group_key=isobutyl(s)-2-chloropropionate||dimension=Environmental > media=Water > water_body=Surface water; cas=83261-15-8; added Common Chemistry CAS names as altLabel: (<em>S</em>)-2-Chloropropionic acid 2-methylpropyl ester, (<em>S</em>)-Isobutyl 2-chloropropionate, (<em>S</em>)-Isobutyl-2-chloropropanoate, 2-Methylpropyl (2S)-2-chloropropanoate, Isobutyl <span class="text-smallcaps">L</span>-(-)-2-chloropropionate, Isobutyl <span class="text-smallcaps">L</span>-2-chloropropionate, Propanoic acid, 2-chloro-, 2-methylpropyl ester, (2<em>S</em>)-, Propanoic acid, 2-chloro-, 2-methylpropyl ester, (<em>S</em>)-; object_uuid=fo-c3f6275fec6e5cb6 |
| 268,060 | consensus_match | cas_match_labels | — | {"83261-15-8":"exactMatch"} | group_key=isobutyl(s)-2-chloropropionate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'83261-15-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c3f6275fec6e5cb6: {'83261-15-8': 'exactMatch'} |
| 276,706 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isobutyl (S)-2-chloropropionate' |
| 279,350 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isobutyl (s)-2-chloropropionate' |
| 283,334 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | rdkit_post_consensus from 'CC(C)COC(=O)[C@H](C)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,225 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO2"… | rdkit_post_consensus from 'CC(C)COC(=O)[C@H](C)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,587 | dedupe_altlabels | altLabel | [{"@value":"(<em>S</em>)-2-Chloropropionic acid 2-methylpropyl ester","@language":"en","source":{"prov:wasGeneratedBy":… | [{"@value":"(S)-2-Chloropropionic acid 2-methylpropyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | Deduplicated altLabel values and removed entries matching prefLabel |
| 303,722 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d890f14-5b10-… | associations resolved on the elementary layer |
| 316,031 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/328f372c-d2fd-… | associations resolved on the elementary layer |
| 322,470 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/45e3ea5c-4e98-… | associations resolved on the elementary layer |
| 324,131 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4bdd3cf8-a265-… | associations resolved on the elementary layer |