Phenethyl Isothiocyanate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-9716f8fa13d60b35
Changes
56| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 13,783 | bootstrap_labels | prefLabel | — | [{"@value":"phenethyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 13,784 | bootstrap_labels | name | phenethyl isothiocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 13,785 | bootstrap_labels | synonyms | ["phenethylisothiocyanate","(2-isothiocyanatoethyl)-benzene","(2-isothiocyanatoethyl)benzene","2-isothiocyanatoethylben… | [] | Removed legacy synonyms field in favor of structured labels |
| 16,127 | bootstrap_labels | synonyms | ["(2-Isothiocyanato-ethyl)-benzene","(2-Isothiocyanatoethyl)benzene",".beta.-Phenethyl isothiocyanate",".beta.-Phenylet… | [] | Removed legacy synonyms field in favor of structured labels |
| 48,351 | 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 |
| 48,352 | 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 |
| 53,093 | 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) |
| 53,094 | 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) |
| 59,417 | 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 |
| 59,418 | 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 |
| 72,279 | 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 |
| 72,280 | 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 |
| 79,051 | 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 |
| 79,052 | 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 |
| 106,643 | 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 |
| 106,644 | 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 |
| 117,071 | 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 |
| 117,072 | 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 |
| 121,531 | 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 |
| 121,532 | 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 |
| 128,197 | 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 |
| 128,198 | 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 |
| 150,873 | 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) |
| 150,874 | 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) |
| 170,219 | 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 |
| 170,220 | 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 |
| 183,519 | 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 |
| 183,520 | 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 |
| 212,179 | 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 |
| 212,180 | 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 |
| 217,896 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,290 | normalize_name_case | prefLabel | [{"@value":"phenethyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Phenethyl Isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,242 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 240,243 | enrich_references | skos_definition | — | [{"@value":"An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound f… | Merged ChEBI/PubChem definitions into skos:definition |
| 240,244 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.504I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2257-09-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_351346']; candidate_pubchem_cids=[16741, 20559]; selected_pubchem_cids=[16741]; 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 |
| 256,255 | chebi_altlabels | altLabel | [] | [{"@value":"(2-Isothiocyanatoethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,592 | consensus_match | altLabel | [{"@value":"(2-Isothiocyanatoethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | [{"@value":"(2-Isothiocyanatoethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | group_key=phenethylisothiocyanate||dimension=Environmental > media=Air > indoor=Unknown; cas=2257-09-2; added Common Chemistry CAS names as altLabel: 1-(2-Isothiocyanatoethyl)benzene, Benzene, (2-isothiocyanatoethyl)-, Isothiocyanic acid, phenethyl ester, JC 5411, NSC 87868, Phenylethyl mustard oil, β-Phenethyl isothiocyanate, β-Phenylethyl isothiocyanate; object_uuid=fo-9716f8fa13d60b35 |
| 270,593 | consensus_match | cas_match_labels | — | {"2257-09-2":"exactMatch"} | group_key=phenethylisothiocyanate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2257-09-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9716f8fa13d60b35: {'2257-09-2': 'exactMatch'} |
| 277,281 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phenethyl Isothiocyanate' |
| 283,949 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NS"],"… | rdkit_post_consensus from 'S=C=NCCc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,102 | strip_catalogue_altlabels | altLabel | [{"@value":"(2-Isothiocyanatoethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | [{"@value":"(2-Isothiocyanatoethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wa… | Removed 2 catalogue altLabel value(s): 'JC 5411' (grade code), 'NSC 87868' (registry code) |
| 305,243 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1299b5cd-6d13-… | associations resolved on the elementary layer |
| 307,614 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/191f9579-8671-… | associations resolved on the elementary layer |
| 310,768 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/222837b2-fc9d-… | associations resolved on the elementary layer |
| 317,196 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/35366883-4196-… | associations resolved on the elementary layer |
| 320,579 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3f1f6154-ecc6-… | associations resolved on the elementary layer |
| 334,357 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5fc03099-c443-… | associations resolved on the elementary layer |
| 339,571 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/71086374-c303-… | associations resolved on the elementary layer |
| 341,800 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/78915a8f-fb62-… | associations resolved on the elementary layer |
| 345,137 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/83e1d903-23fc-… | associations resolved on the elementary layer |