3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-eb01fcd11ef7a179
Changes
54| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,985 | bootstrap_labels | prefLabel | — | [{"@value":"3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate","@langua… | Bootstrapped prefLabel from legacy name field |
| 9,986 | bootstrap_labels | name | 3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate | — | Purged legacy name field to enforce prefLabel usage |
| 9,987 | bootstrap_labels | synonyms | ["organic","pentaerythritoltetrakis(3-mercaptopropionate)","pet-3-mp","petmp","thiocureâ®petmpcs,pentaerytritoltetra(3-… | [] | Removed legacy synonyms field in favor of structured labels |
| 42,609 | 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) |
| 42,610 | 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) |
| 64,621 | 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) |
| 64,622 | 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) |
| 68,599 | 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 |
| 68,600 | 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 |
| 73,473 | 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 |
| 73,474 | 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 |
| 98,451 | 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 |
| 98,452 | 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 |
| 103,091 | 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 |
| 103,092 | 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 |
| 106,177 | 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 |
| 106,178 | 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 |
| 113,087 | 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 |
| 113,088 | 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 |
| 119,471 | 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 |
| 119,472 | 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 |
| 143,875 | 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 |
| 143,876 | 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 |
| 162,421 | 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 |
| 162,422 | 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 |
| 164,151 | 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 |
| 164,152 | 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 |
| 176,437 | 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 |
| 176,438 | 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 |
| 216,659 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,720 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,721 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,722 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.159J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['7575-23-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[82056, 53445268]; selected_pubchem_cids=[82056]; 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 |
| 251,066 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | rdkit_pre_consensus from 'C(CS)C(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS'; added: molecular_mass, monoisotopic_mass |
| 261,855 | consensus_match | altLabel | [] | [{"@value":"4SH","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"brightway-f… | group_key=3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl3-sulfanylpropanoate||dimension=Environmental > media=Air > strata=Long-term; cas=7575-23-7; added Common Chemistry CAS names as altLabel: 4SH, Adeka EH 316, Adeka EH 317, Adeka Hardener EH 317, BD 112356, EH 316, EH 317, Epicure QX 40, Epomate QX 40, JER Cure QX 40, Jingbo 402, Mercaptate Q 43 ester, PBMP, PC-TOL M 490, PEMP, PEMP 2-20P, PEMP 20P, PEMP-II 20P, PEMP-LV, PET 3MP, PETMP, PETP, PETP (polythiol), POS 405, PTMP, PTMP (accelerator), Pentaerythritol (3-mercaptopropionate), Pentaerythritol mercaptopropionate, Pentaerythritol terakis(3-mercaptopropionate), Pentaerythritol tetra(3-mercaptopropionate), Pentaerythritol tetra(mercaptopropionate), Pentaerythritol tetra(β-thiopropionate), Pentaerythritol tetra-β-mercaptopropionate, Pentaerythritol tetrakis(3-mercaptopropanoate), Pentaerythritol tetrakis(3-mercaptopropionoate), Pentaerythritol tetrakis(3-mercaptoproponiate), Pentaerythritol tetrakis(3-thiopropionate), Pentaerythritol tetrakis(mercaptopropionate), Pentaerythritol tetrakis(β-mercaptopropionate), Pentaerythritol tetrakis(β-thiopropionate), Pentaerythritol, tetrakis(3-mercaptopropionate), Pentaerythrityl tetrakis(β-mercaptopropionate), Polythiol 402, Polythiol 405, Propanoic acid, 3-mercapto-, 1,1′-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester, Propanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester, Propionic acid, 3-mercapto-, neopentanetetrayl ester, Q 43, Q 43 (polythiol), QX 40, S 4P, Tetrakis(3-mercaptopropionate)pentaerythritol, Tetrakis(3-mercaptopropionic acid)pentaerythritol ester, Tetramethylolmethane tetramercaptopropionate, Thiocure 331, Thiocure 340, Thiocure 440, Thiocure PETMP, Thiocure PETMP Low Odor, [3-(3-Sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate, β-Mercaptopropionic acid tetraester with pentaerythritol; object_uuid=fo-eb01fcd11ef7a179 |
| 261,856 | consensus_match | cas_match_labels | — | {"7575-23-7":"exactMatch"} | group_key=3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl3-sulfanylpropanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7575-23-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eb01fcd11ef7a179: {'7575-23-7': 'exactMatch'} |
| 276,253 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate' |
| 282,840 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H28O8S4… | rdkit_post_consensus from 'O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,360 | strip_catalogue_altlabels | altLabel | [{"@value":"4SH","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"brightway-f… | [{"@value":"4SH","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"brightway-f… | Removed 14 catalogue altLabel value(s): 'EH 316' (grade code), 'EH 317' (grade code), 'Jingbo 402' (trade name), 'PEMP 20P' (grade code), 'POS 405' (grade code), 'Polythiol 402' (trade name), 'Polythiol 405' (trade name), 'Q 43' (grade code), 'Q 43 (polythiol)' (grade code), 'QX 40' (grade code), 'S 4P' (grade code), 'Thiocure 331' (trade name), 'Thiocure 340' (trade name), 'Thiocure 440' (trade name) |
| 302,370 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0a3ef074-94c8-… | associations resolved on the elementary layer |
| 313,369 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/29622d48-8093-… | associations resolved on the elementary layer |
| 315,357 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/301d0833-5990-… | associations resolved on the elementary layer |
| 317,792 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/374f9a59-a575-… | associations resolved on the elementary layer |
| 330,261 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/51a89656-8916-… | associations resolved on the elementary layer |
| 332,581 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/59ae6740-2ad3-… | associations resolved on the elementary layer |
| 334,124 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5f025525-0c6a-… | associations resolved on the elementary layer |
| 337,580 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6a52ef7a-b4c9-… | associations resolved on the elementary layer |
| 340,770 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/750aa305-68cc-… | associations resolved on the elementary layer |
| 352,976 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9e36fce7-a420-… | associations resolved on the elementary layer |
| 362,268 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/bdf9670f-5426-… | associations resolved on the elementary layer |