2-methyloctane-2-thiol
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-84e58f812be59671
Changes
54| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,116 | bootstrap_labels | prefLabel | — | [{"@value":"2-methyloctane-2-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 16,117 | bootstrap_labels | name | 2-methyloctane-2-thiol | — | Purged legacy name field to enforce prefLabel usage |
| 16,118 | bootstrap_labels | synonyms | ["organic","1,1-dimethylheptanethiol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 53,064 | 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) |
| 53,065 | 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) |
| 61,224 | 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 |
| 61,225 | 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 |
| 64,502 | 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) |
| 64,503 | 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) |
| 75,394 | 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 |
| 75,395 | 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 |
| 78,840 | 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 |
| 78,841 | 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 |
| 83,704 | 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 |
| 83,705 | 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 |
| 98,326 | 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 |
| 98,327 | 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 |
| 100,668 | 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 |
| 100,669 | 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 |
| 114,650 | 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 |
| 114,651 | 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 |
| 128,398 | 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 |
| 128,399 | 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 |
| 135,844 | 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 |
| 135,845 | 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 |
| 147,720 | 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 |
| 147,721 | 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 |
| 212,750 | 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 |
| 212,751 | 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 |
| 218,633 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,352 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 242,353 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,354 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.918.722C","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['25360-10-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[106220, 520196]; selected_pubchem_cids=[106220, 520196]; 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 |
| 252,693 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | rdkit_pre_consensus from 'CC(C)(C)CC(C)(C)CS'; added: molecular_mass, monoisotopic_mass |
| 261,166 | consensus_match | altLabel | [] | [{"@value":"<em>tert</em>-Nonanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | group_key=2-methyloctane-2-thiol||dimension=Environmental > media=Water > water_body=Long-term; cas=25360-10-5; added Common Chemistry CAS names as altLabel: <em>tert</em>-Nonanethiol, <em>tert</em>-Nonyl mercaptan, Sulfole 90; object_uuid=fo-84e58f812be59671 |
| 261,167 | consensus_match | cas_match_labels | — | {"25360-10-5":"exactMatch"} | group_key=2-methyloctane-2-thiol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25360-10-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-84e58f812be59671: {'25360-10-5': 'exactMatch'} |
| 277,898 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methyloctane-2-thiol' |
| 284,606 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | rdkit_post_consensus from 'CCCCCCC(C)(C)S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,068 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H20S"],"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,859 | dedupe_altlabels | altLabel | [{"@value":"<em>tert</em>-Nonanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | [{"@value":"tert-Nonanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 307,552 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/19142ba5-4944-… | associations resolved on the elementary layer |
| 311,624 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/252ccc38-bbc7-… | associations resolved on the elementary layer |
| 313,262 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/292e601a-e2e3-… | associations resolved on the elementary layer |
| 318,705 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3a8c1fef-03c8-… | associations resolved on the elementary layer |
| 320,427 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3ec456cb-e7a9-… | associations resolved on the elementary layer |
| 322,859 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/47514819-579a-… | associations resolved on the elementary layer |
| 330,153 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/51705789-d589-… | associations resolved on the elementary layer |
| 331,324 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/557c3cd0-71ff-… | associations resolved on the elementary layer |
| 338,317 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6cf2fc07-84ce-… | associations resolved on the elementary layer |
| 345,194 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/842cdec6-4b0d-… | associations resolved on the elementary layer |