Aryl Substituted Aryl Substituted Aryl Triazin
040bbe43-a7c4-4652-9da9-7b4908884eb9
Identity
- Substance
- fo-2e50d3f4a72c6c19 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Surface water
- CAS
- 252285-60-2
- EC
- 607-654-1
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Surface water
Alternative labels
2- 2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
- Phenol, 2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 040bbe43-a7c4-4652-9da9-7b4908884eb9 | aryl substituted aryl substituted aryl triazin | 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 | 040bbe43-a7c4-4652-9da9-7b4908884eb9 | aryl substituted aryl substituted aryl triazin | Emissions/Emissions to water/Emissions to fresh water | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4
- European Commission — JRC 4
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 | — | 51,794 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 51,794 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 51,794 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 51,794 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 1.9717e-09 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.9717e-09 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 1.9717e-09 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.9717e-09 | 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": "2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:252285-60-2",
"https://commonchemistry.cas.org/detail?cas_rn=252285-60-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenol, 2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:252285-60-2",
"https://commonchemistry.cas.org/detail?cas_rn=252285-60-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C23H19N3O2"
],
"attested_by": {
"C23H19N3O2": [
"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:136146573"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"PWWRPPKIWLDSIM-UHFFFAOYSA-N"
],
"attested_by": {
"PWWRPPKIWLDSIM-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:136146573"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
]
}
],
"attested_by": {
"CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C23H19N3O2/c1-2-28-18-14-12-17(13-15-18)22-24-21(16-8-4-3-5-9-16)25-23(26-22)19-10-6-7-11-20(19)27/h3-15,27H,2H2,1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
]
}
],
"attested_by": {
"InChI=1S/C23H19N3O2/c1-2-28-18-14-12-17(13-15-18)22-24-21(16-8-4-3-5-9-16)25-23(26-22)19-10-6-7-11-20(19)27/h3-15,27H,2H2,1H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol"
]
},
"attested_by": {
"2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
369.424
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
]
}
],
"attested_by": {
"369.424": [
"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": [
369.147727
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1"
]
}
],
"attested_by": {
"369.147727": [
"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=J2.971.527K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:136146573;CAS:252285-60-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=252285-60-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:136146573;CAS:252285-60-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID101044999",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:136146573;CAS:252285-60-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/136146573",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:136146573;CAS:252285-60-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[252285-60-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q126606717",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:136146573;CAS:252285-60-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[252285-60-2]"
}
}
],
"prefLabel": [
{
"@value": "Aryl Substituted Aryl Substituted Aryl Triazin",
"@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": "040bbe43-a7c4-4652-9da9-7b4908884eb9",
"identifier": "040bbe43-a7c4-4652-9da9-7b4908884eb9",
"source": "EF 3.1",
"cas_numbers": [
"252285-60-2"
],
"ec_numbers": [
"607-654-1"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Surface water"
},
"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": 51794.0
},
{
"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": 1.9717e-9
},
{
"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": 1.9717e-9
},
{
"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": 51794.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-2e50d3f4a72c6c19",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/040bbe43-a7c4-4652-9da9-7b4908884eb9",
"skos:prefLabel": "aryl substituted aryl substituted aryl triazin",
"context": "Emissions/Emissions to water/Emissions to fresh water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/040bbe43-a7c4-4652-9da9-7b4908884eb9"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/040bbe43-a7c4-4652-9da9-7b4908884eb9"
},
"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": {
"252285-60-2": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "aryl substituted aryl substituted aryl triazin",
"synonyms": [
"organic",
"phenol,2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-",
"notyetknownothernames2-[4-(4-ethoxy-phenyl)-6-phenyl-[1,3,5]triazin-2-yl]-phenol"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to fresh water"
],
"cas_numbers": [
"252285-60-2"
],
"ec_numbers": [
"607-654-1"
],
"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