Irgarol
fe0acd60-3ddc-11dd-a527-0050c2490048
Identity
- Substance
- fo-ee808c79d9987395 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Unknown
- CAS
- 28159-98-0
- EC
- 248-872-3
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Unknown
Alternative labels
19- Cybutryne
- N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
- 1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N′-(1,1-dimethylethyl)-6-(methylthio)-
- 1,3,5-Triazine-2,4-diamine, N2-cyclopropyl-N4-(1,1-dimethylethyl)-6-(methylthio)-
- 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine
- 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine
- 2-(Methylthio)-4-(tert-butylamino)-6-(cyclopropylamino)-s-triazine
- 2-N-tert-Butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
- 2-Methylthio-4-tert-butylamino-6-cyclopropylamino S triazine
- 2-Methylthio-4-tert-butylamino-6-cyclopropylamino-[1,3,5]triazine
- 2-Methylthio-4-t-butylamino-6-cyclopropylamino-s-triazine
- N-Cyclopropyl-N′-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
- N2-Cyclopropyl-N4-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
- s-Triazine, 2-(tert-butylamino)-4-(cyclopropylamino)-6-(methylthio)-
- Cybutrin
- Irgaguard A 2000
- Irgaguard D 1071
- Microban Additive IA 1
- SanAlga 1907
Source lists
2| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | fe0acd60-3ddc-11dd-a527-0050c2490048 | irgarol | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
| stepwise | 2006-1.09 | 738b6e03-00dc-5e9c-b826-8947e2ada40d | Irgarol | The CAS numbers are the same (28159-98-0); both name the same compartment. |
Concept associations
2| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | fe0acd60-3ddc-11dd-a527-0050c2490048 | irgarol | Emissions/Emissions to air/Emissions to air, unspecified | exactMatch | — |
| stepwise 2006-1.09 | 738b6e03-00dc-5e9c-b826-8947e2ada40d | Irgarol | Air / (unspecified) | closeMatch | — |
Characterisation factors
8- consensus-flow-list 4
- 2.-0 LCA consultants 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 | — | 276,610 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 276,610 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 276,610 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 276,610 | sole |
| Stepwise 2006 | 2.-0 LCA consultants | Ecotoxicity, aquatic | — | 30,431.79592 | — |
| Stepwise 2006 | consensus-flow-list | Ecotoxicity, aquatic | — | 30,431.79592 | sole |
| Stepwise 2006 | 2.-0 LCA consultants | Ecotoxicity, terrestrial | — | 201.479357 | — |
| Stepwise 2006 | consensus-flow-list | Ecotoxicity, terrestrial | — | 201.479357 | 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": "Cybutryne",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N′-(1,1-dimethylethyl)-6-(methylthio)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3,5-Triazine-2,4-diamine, N2-cyclopropyl-N4-(1,1-dimethylethyl)-6-(methylthio)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(Methylthio)-4-(tert-butylamino)-6-(cyclopropylamino)-s-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-N-tert-Butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methylthio-4-tert-butylamino-6-cyclopropylamino S triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methylthio-4-tert-butylamino-6-cyclopropylamino-[1,3,5]triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methylthio-4-t-butylamino-6-cyclopropylamino-s-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Cyclopropyl-N′-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N2-Cyclopropyl-N4-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "s-Triazine, 2-(tert-butylamino)-4-(cyclopropylamino)-6-(methylthio)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cybutrin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irgaguard A 2000",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irgaguard D 1071",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Microban Additive IA 1",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SanAlga 1907",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28159-98-0",
"https://commonchemistry.cas.org/detail?cas_rn=28159-98-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C11H19N5S"
],
"attested_by": {
"C11H19N5S": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CSc1nc(NC2CC2)nc(NC(C)(C)C)n1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CSc1nc(NC2CC2)nc(NC(C)(C)C)n1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CSc1nc(NC2CC2)nc(NC(C)(C)C)n1"
]
}
],
"attested_by": {
"CSc1nc(NC2CC2)nc(NC(C)(C)C)n1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CSc1nc(NC2CC2)nc(NC(C)(C)C)n1"
]
}
],
"attested_by": {
"InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HDHLIWCXDDZUFH-UHFFFAOYSA-N"
],
"attested_by": {
"HDHLIWCXDDZUFH-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CSc1nc(NC2CC2)nc(NC(C)(C)C)n1"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
253.375
],
"attested_by": {
"253.375": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CSc1nc(NC2CC2)nc(NC(C)(C)C)n1"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
253.136117,
253.13612
],
"attested_by": {
"253.13612": [
"enrich_references.chebi_semantic"
],
"253.136117": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CSc1nc(NC2CC2)nc(NC(C)(C)C)n1"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine"
]
},
"attested_by": {
"N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J135.024B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590;CAS:28159-98-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28159-98-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.044.415",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590;CAS:28159-98-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28159-98-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=28159-98-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3032416",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590;CAS:28159-98-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28159-98-0]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E7B77O21GH",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590;CAS:28159-98-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28159-98-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/91590",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590;CAS:28159-98-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[28159-98-0]"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/17136316",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/22789406",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/23722069",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5962",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185551",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590;CAS:28159-98-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28159-98-0]"
}
},
{
"@id": "https://www.genome.jp/entry/C10927",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.kegg.jp/entry/C10927",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590;CAS:28159-98-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28159-98-0]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53232",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590;CAS:28159-98-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28159-98-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q1147281",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:91590;CAS:28159-98-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28159-98-0]"
}
},
{
"@id": "ppdb:2747",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "reaxys:792218",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"prefLabel": [
{
"@value": "Irgarol",
"@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": [
{
"@value": "A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying a N-tert-butyl, N'-cyclopropyl and a methylsulfanyl group at position 6.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_5962"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_78298",
"rdfs:label": "environmental contaminant",
"http://www.w3.org/2004/02/skos/core#definition": "Any minor or unwanted substance introduced into the environment that can have undesired effects.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
],
"uuid": "fe0acd60-3ddc-11dd-a527-0050c2490048",
"identifier": "fe0acd60-3ddc-11dd-a527-0050c2490048",
"source": "EF 3.1",
"cas_numbers": [
"28159-98-0"
],
"ec_numbers": [
"248-872-3"
],
"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": 276610.0
},
{
"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": 276610.0
}
],
"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-ee808c79d9987395",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-11dd-a527-0050c2490048",
"skos:prefLabel": "irgarol",
"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/fe0acd60-3ddc-11dd-a527-0050c2490048"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a527-0050c2490048"
},
"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"
]
}
},
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/stepwise/2006-1.09/flow/738b6e03-00dc-5e9c-b826-8947e2ada40d",
"skos:prefLabel": "Irgarol",
"context": "Air / (unspecified)",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:closeMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a527-0050c2490048"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a527-0050c2490048"
},
"provenance": {
"prov:wasGeneratedBy": "merge_stepwise",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"stepwise:2006-1.09:738b6e03-00dc-5e9c-b826-8947e2ada40d",
"Irgarol",
"",
"algorithm.lookup_order=cas>ec>label",
"algorithm.basis=cas:28159-98-0",
"algorithm.flow_object_candidates=1",
"algorithm.elementary_candidates=13",
"algorithm.selector_reason=exact-context-iri-match",
"algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
],
"prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:28159-98-0);flow_object_candidates(1);elementary_candidates(13);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
}
}
],
"_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": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance",
"roles": "link_flows_to_their_substance"
},
"cas_match_labels": {
"28159-98-0": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "irgarol",
"synonyms": [
"1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-",
"2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine",
"2-Methylthio-4-tert-butylamino-6-cyclopropylamino-S-triazine",
"2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine",
"AC1L3MDV",
"Cybutryne",
"Irgarol 1051",
"Irgarol(R)",
"N'-tert-Butyl-N-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine",
"N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified"
],
"cas_numbers": [
"28159-98-0"
],
"ec_numbers": [
"248-872-3"
],
"unit": "kg"
}
}Something wrong here?
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
- A row from my list should not reach this flow
- This flow is not that chemical
- The compartment or the unit is wrong
- One of these characterisation factors cannot be this substance's
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works