Sulfonic Acids, C10-c21-alkane, Ph-esters
f547c0ac-fd54-42c6-836a-e01aa1d04bff
Identity
- Substance
- fo-e2b9588a498bb9e1 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)
- CAS
- 91082-17-6
- EC
- 293-728-5
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Rural (<1000 people/square mile)
- Strata
- Medium stack, <150 meters
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | f547c0ac-fd54-42c6-836a-e01aa1d04bff | sulfonic acids, c10-c21-alkane, ph-esters | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | f547c0ac-fd54-42c6-836a-e01aa1d04bff | sulfonic acids, c10-c21-alkane, ph-esters | Emissions/Emissions to air/Emissions to non-urban air or from high stacks | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 1.3210e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.3210e-07 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 1.3210e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.3210e-07 | sole |
History
The change log and the PROV-O trail (1 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C21H36O3S"
],
"attested_by": {
"C21H36O3S": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"UDKSLGIUCGAZTK-UHFFFAOYSA-N"
],
"attested_by": {
"UDKSLGIUCGAZTK-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
],
"attested_by": {
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(22,23)24-21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3"
],
"attested_by": {
"InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(22,23)24-21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"1-pentadecanesulfonic acid",
"pentadecane-1-sulfonic acid phenyl ester",
"phenyl pentadecane-1-sulfonate"
],
"attested_by": {
"1-pentadecanesulfonic acid": [
"enrich_references.pubchem_semantic"
],
"pentadecane-1-sulfonic acid phenyl ester": [
"enrich_references.pubchem_semantic"
],
"phenyl pentadecane-1-sulfonate": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
368.583
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
]
}
],
"attested_by": {
"368.583": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
368.238516
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
]
}
],
"attested_by": {
"368.238516": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J71.624C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723;CAS:91082-17-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.085.174",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723;CAS:91082-17-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=91082-17-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"91082-17-6"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID00274002",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723;CAS:91082-17-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q4FQ4SJ6CW",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723;CAS:91082-17-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/20478723",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723;CAS:91082-17-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[91082-17-6]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188793",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723;CAS:91082-17-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81977412",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:20478723;CAS:91082-17-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
}
}
],
"prefLabel": [
{
"@value": "Sulfonic Acids, C10-c21-alkane, Ph-esters",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "f547c0ac-fd54-42c6-836a-e01aa1d04bff",
"identifier": "f547c0ac-fd54-42c6-836a-e01aa1d04bff",
"source": "EF 3.1",
"cas_numbers": [
"91082-17-6"
],
"ec_numbers": [
"293-728-5"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Medium stack, <150 meters",
"population_density": "Rural (<1000 people/square mile)"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
"name": "Human toxicity, non-cancer",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 1.321e-7
},
{
"method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
"name": "Human toxicity, non-cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 1.321e-7
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-e2b9588a498bb9e1",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/f547c0ac-fd54-42c6-836a-e01aa1d04bff",
"skos:prefLabel": "sulfonic acids, c10-c21-alkane, ph-esters",
"context": "Emissions/Emissions to air/Emissions to non-urban air or from high stacks",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/f547c0ac-fd54-42c6-836a-e01aa1d04bff"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/f547c0ac-fd54-42c6-836a-e01aa1d04bff"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"91082-17-6": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "sulfonic acids, c10-c21-alkane, ph-esters",
"synonyms": [
"organic",
"sulfonicacids,c10-21-alkane,phesters",
"asep",
"mesamoll",
"mesamollii"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to non-urban air or from high stacks"
],
"cas_numbers": [
"91082-17-6"
],
"ec_numbers": [
"293-728-5"
],
"unit": "kg"
}
}