Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester
9c9f304a-462e-4798-90b0-a5aab9fa12b9
Identity
- Substance
- fo-612431a8fd797a4f Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Aircraft cruise height
- CAS
- 1001320-38-2
- EC
- 691-061-8
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Aircraft cruise height
Alternative labels
1- Butyl N-[(butylthio)thioxomethyl]carbamate
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 9c9f304a-462e-4798-90b0-a5aab9fa12b9 | carbamic acid, n-[(butylthio)thioxomethyl]-, butyl ester | 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 | 9c9f304a-462e-4798-90b0-a5aab9fa12b9 | carbamic acid, n-[(butylthio)thioxomethyl]-, butyl ester | Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere | 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 | — | 1,793.2 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 1,793.2 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 1,793.2 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 1,793.2 | 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": "Butyl <em>N</em>-[(butylthio)thioxomethyl]carbamate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1001320-38-2",
"https://commonchemistry.cas.org/detail?cas_rn=1001320-38-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H19NO2S2"
],
"attested_by": {
"C10H19NO2S2": [
"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:87668466"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCOC(=O)NC(=S)SCCCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"IMEBVVBPRQAYFY-UHFFFAOYSA-N"
],
"attested_by": {
"IMEBVVBPRQAYFY-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:87668466"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCOC(=O)NC(=S)SCCCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCOC(=O)NC(=S)SCCCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCOC(=O)NC(=S)SCCCC"
]
}
],
"attested_by": {
"CCCCOC(=O)NC(=S)SCCCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H19NO2S2/c1-3-5-7-13-9(12)11-10(14)15-8-6-4-2/h3-8H2,1-2H3,(H,11,12,14)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCOC(=O)NC(=S)SCCCC"
]
}
],
"attested_by": {
"InChI=1S/C10H19NO2S2/c1-3-5-7-13-9(12)11-10(14)15-8-6-4-2/h3-8H2,1-2H3,(H,11,12,14)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester"
]
},
"attested_by": {
"Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
249.401
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCOC(=O)NC(=S)SCCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCOC(=O)NC(=S)SCCCC"
]
}
],
"attested_by": {
"249.401": [
"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": [
249.085721
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCOC(=O)NC(=S)SCCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCOC(=O)NC(=S)SCCCC"
]
}
],
"attested_by": {
"249.085721": [
"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/100.218.531",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87668466;CAS:1001320-38-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1001320-38-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1001320-38-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87668466;CAS:1001320-38-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1001320-38-2]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID50893601",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87668466;CAS:1001320-38-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1001320-38-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87668466",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87668466;CAS:1001320-38-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[1001320-38-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81987702",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87668466;CAS:1001320-38-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1001320-38-2]"
}
}
],
"prefLabel": [
{
"@value": "Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester",
"@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": "9c9f304a-462e-4798-90b0-a5aab9fa12b9",
"identifier": "9c9f304a-462e-4798-90b0-a5aab9fa12b9",
"source": "EF 3.1",
"cas_numbers": [
"1001320-38-2"
],
"ec_numbers": [
"691-061-8"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Aircraft cruise height"
},
"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": 1793.2
},
{
"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": 1793.2
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-aicrhe",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-612431a8fd797a4f",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/9c9f304a-462e-4798-90b0-a5aab9fa12b9",
"skos:prefLabel": "carbamic acid, n-[(butylthio)thioxomethyl]-, butyl ester",
"context": "Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/9c9f304a-462e-4798-90b0-a5aab9fa12b9"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/9c9f304a-462e-4798-90b0-a5aab9fa12b9"
},
"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": {
"1001320-38-2": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "carbamic acid, n-[(butylthio)thioxomethyl]-, butyl ester",
"synonyms": [
"organic",
"maxgold(r)",
"s-10903"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to lower stratosphere and upper troposphere"
],
"cas_numbers": [
"1001320-38-2"
],
"ec_numbers": [
"691-061-8"
],
"unit": "kg"
}
}