Tetrapropylenebenzenesulphonic Acid
7c4c090b-37a8-44b4-9d51-ba7aae91e0ca
Identity
- Substance
- fo-69d4134c303b1173 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Unknown
- CAS
- 11067-81-5
- EC
- 234-288-6
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Unknown
Alternative labels
4- Benzenesulfonic acid, tetrapropylene-
- Stepantan H 100
- TPBS
- Tetrapropylenebenzenesulfonic acid
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 7c4c090b-37a8-44b4-9d51-ba7aae91e0ca | tetrapropylenebenzenesulphonic acid | 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 | 7c4c090b-37a8-44b4-9d51-ba7aae91e0ca | tetrapropylenebenzenesulphonic acid | Emissions/Emissions to air/Emissions to air, unspecified | 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 | Ecotoxicity, freshwater | — | 11.787 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 11.787 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 11.787 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 11.787 | sole |
History
The change log and the PROV-O trail (2 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": [
{
"@value": "Benzenesulfonic acid, tetrapropylene-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:11067-81-5",
"https://commonchemistry.cas.org/detail?cas_rn=11067-81-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Stepantan H 100",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:11067-81-5",
"https://commonchemistry.cas.org/detail?cas_rn=11067-81-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TPBS",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:11067-81-5",
"https://commonchemistry.cas.org/detail?cas_rn=11067-81-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tetrapropylenebenzenesulfonic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:11067-81-5",
"https://commonchemistry.cas.org/detail?cas_rn=11067-81-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C18H22O3S"
],
"attested_by": {
"C18H22O3S": [
"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:3032568"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1CC2=C1C3=C(C4=C2C(C45CC5C)C)S(=O)(=O)OC(C3)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FODHIQQNHOPUKH-UHFFFAOYSA-N"
],
"attested_by": {
"FODHIQQNHOPUKH-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:3032568"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1CC2=C1C3=C(C4=C2C(C45CC5C)C)S(=O)(=O)OC(C3)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC1CC2=C1C3=C(C4=C2C(C45CC5C)C)S(=O)(=O)OC(C3)C"
],
"attested_by": {
"CC1CC2=C1C3=C(C4=C2C(C45CC5C)C)S(=O)(=O)OC(C3)C": [
"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:3032568"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1CC2=C1C3=C(C4=C2C(C45CC5C)C)S(=O)(=O)OC(C3)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C18H22O3S/c1-8-5-12-14(8)13-6-10(3)21-22(19,20)17(13)16-15(12)11(4)18(16)7-9(18)2/h8-11H,5-7H2,1-4H3"
],
"attested_by": {
"InChI=1S/C18H22O3S/c1-8-5-12-14(8)13-6-10(3)21-22(19,20)17(13)16-15(12)11(4)18(16)7-9(18)2/h8-11H,5-7H2,1-4H3": [
"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:3032568"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1CC2=C1C3=C(C4=C2C(C45CC5C)C)S(=O)(=O)OC(C3)C"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2',3,7,13-tetramethylspiro[12-oxa-11lambda6-thiatetracyclo[8.4.0.02,5.06,9]tetradeca-1(10),2(5),6(9)-triene-8,1'-cyclopropane] 11,11-dioxide"
],
"attested_by": {
"2',3,7,13-tetramethylspiro[12-oxa-11lambda6-thiatetracyclo[8.4.0.02,5.06,9]tetradeca-1(10),2(5),6(9)-triene-8,1'-cyclopropane] 11,11-dioxide": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3032568"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
318.438
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1CC2=C1C3=C(C4=C2C(C45CC5C)C)S(=O)(=O)OC(C3)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1CC2=C1C3=C(C4=C2C(C45CC5C)C)S(=O)(=O)OC(C3)C"
]
}
],
"attested_by": {
"318.438": [
"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": [
318.128966
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1CC2=C1C3=C(C4=C2C(C45CC5C)C)S(=O)(=O)OC(C3)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1CC2=C1C3=C(C4=C2C(C45CC5C)C)S(=O)(=O)OC(C3)C"
]
}
],
"attested_by": {
"318.128966": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.031.159",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3032568;CAS:11067-81-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[11067-81-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=11067-81-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"11067-81-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3032568",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3032568;CAS:11067-81-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[11067-81-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q126611597",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3032568;CAS:11067-81-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[11067-81-5]"
}
}
],
"prefLabel": [
{
"@value": "Tetrapropylenebenzenesulphonic Acid",
"@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": "7c4c090b-37a8-44b4-9d51-ba7aae91e0ca",
"identifier": "7c4c090b-37a8-44b4-9d51-ba7aae91e0ca",
"source": "EF 3.1",
"cas_numbers": [
"11067-81-5"
],
"ec_numbers": [
"234-288-6"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Unknown"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 11.787
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 11.787
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-69d4134c303b1173",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/7c4c090b-37a8-44b4-9d51-ba7aae91e0ca",
"skos:prefLabel": "tetrapropylenebenzenesulphonic acid",
"context": "Emissions/Emissions to air/Emissions to air, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/7c4c090b-37a8-44b4-9d51-ba7aae91e0ca"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/7c4c090b-37a8-44b4-9d51-ba7aae91e0ca"
},
"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",
"altLabel": "consensus_match",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"11067-81-5": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "tetrapropylenebenzenesulphonic acid",
"synonyms": [
"AC1MHUBZ",
"Benzenesulfonic acid, tetrapropylene-",
"TETRAPROPYLENEBENZENESULFONIC ACID",
"Tetrapropylene benzene sulfonate",
"Tetrapropylene benzenesulfonate",
"Tetrapropylene benzenesulphonate"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified"
],
"cas_numbers": [
"11067-81-5"
],
"ec_numbers": [
"234-288-6"
],
"unit": "kg"
}
}