3,4,5-Trichloro-2,6-dimethoxyphenol
e81c386b-64cb-48dd-9aef-ad68d7171fb1
Identity
- Substance
- fo-5f4dcf659139ffac Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Long-term
- CAS
- 2539-26-6
- EC
- —
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Long-term
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | e81c386b-64cb-48dd-9aef-ad68d7171fb1 | 3,4,5-Trichloro-2,6-dimethoxyphenol | 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 | e81c386b-64cb-48dd-9aef-ad68d7171fb1 | 3,4,5-Trichloro-2,6-dimethoxyphenol | Emissions/Emissions to air/Emissions to air, unspecified (long-term) | exactMatch | — |
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
{
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H7Cl3O3"
],
"attested_by": {
"C8H7Cl3O3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:17344"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1c(O)c(OC)c(Cl)c(Cl)c1Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COC1=C(C(=C(C(=C1Cl)Cl)Cl)OC)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZZCSBXFJFLSDRR-UHFFFAOYSA-N"
],
"attested_by": {
"ZZCSBXFJFLSDRR-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:17344"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1c(O)c(OC)c(Cl)c(Cl)c1Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COC1=C(C(=C(C(=C1Cl)Cl)Cl)OC)O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"COc1c(O)c(OC)c(Cl)c(Cl)c1Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"3,4,5-Trichloro-2,6-dimethoxyphenol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1c(O)c(OC)c(Cl)c(Cl)c1Cl"
]
},
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"3,4,5-trichloro-2,6-dimethoxyphenol"
]
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:17344"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COC1=C(C(=C(C(=C1Cl)Cl)Cl)OC)O"
]
}
],
"attested_by": {
"COc1c(O)c(OC)c(Cl)c(Cl)c1Cl": [
"opsin_iupac",
"rdkit_post_consensus"
],
"COC1=C(C(=C(C(=C1Cl)Cl)Cl)OC)O": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C8H7Cl3O3/c1-13-7-4(10)3(9)5(11)8(14-2)6(7)12/h12H,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"3,4,5-Trichloro-2,6-dimethoxyphenol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1c(O)c(OC)c(Cl)c(Cl)c1Cl"
]
},
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"3,4,5-trichloro-2,6-dimethoxyphenol"
]
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:17344"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COC1=C(C(=C(C(=C1Cl)Cl)Cl)OC)O"
]
}
],
"attested_by": {
"InChI=1S/C8H7Cl3O3/c1-13-7-4(10)3(9)5(11)8(14-2)6(7)12/h12H,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus",
"enrich_references.pubchem_semantic"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"3,4,5-Trichloro-2,6-dimethoxyphenol",
"3,4,5-trichloro-2,6-dimethoxyphenol",
"3,4,5-trichloro-2,6-dimethoxy-phenol",
"3,4,5-tris(chloranyl)-2,6-dimethoxy-phenol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"3,4,5-Trichloro-2,6-dimethoxyphenol",
"3,4,5-trichloro-2,6-dimethoxyphenol",
"CID:17344"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
},
"attested_by": {
"3,4,5-Trichloro-2,6-dimethoxyphenol": [
"opsin_iupac"
],
"3,4,5-trichloro-2,6-dimethoxyphenol": [
"opsin_iupac",
"enrich_references.pubchem_semantic"
],
"3,4,5-trichloro-2,6-dimethoxy-phenol": [
"enrich_references.pubchem_semantic"
],
"3,4,5-tris(chloranyl)-2,6-dimethoxy-phenol": [
"enrich_references.pubchem_semantic"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
257.5
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COC1=C(C(=C(C(=C1Cl)Cl)Cl)OC)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1c(O)c(OC)c(Cl)c(Cl)c1Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COC1=C(C(=C(C(=C1Cl)Cl)Cl)OC)O"
]
}
],
"attested_by": {
"257.5": [
"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": [
255.946077
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COC1=C(C(=C(C(=C1Cl)Cl)Cl)OC)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1c(O)c(OC)c(Cl)c(Cl)c1Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COC1=C(C(=C(C(=C1Cl)Cl)Cl)OC)O"
]
}
],
"attested_by": {
"255.946077": [
"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=J569.094C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:17344;CAS:2539-26-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2539-26-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2539-26-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2539-26-6"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7074246",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:17344;CAS:2539-26-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2539-26-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/17344",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:17344;CAS:2539-26-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2539-26-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82002654",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:17344;CAS:2539-26-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2539-26-6]"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "e81c386b-64cb-48dd-9aef-ad68d7171fb1",
"identifier": "e81c386b-64cb-48dd-9aef-ad68d7171fb1",
"source": "EF 3.1",
"cas_numbers": [
"2539-26-6"
],
"ec_numbers": [],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Long-term"
},
"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": 0.0
},
{
"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": 0.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"prefLabel": [
{
"@value": "3,4,5-Trichloro-2,6-dimethoxyphenol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-lote",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-5f4dcf659139ffac",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/e81c386b-64cb-48dd-9aef-ad68d7171fb1",
"skos:prefLabel": "3,4,5-Trichloro-2,6-dimethoxyphenol",
"context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/e81c386b-64cb-48dd-9aef-ad68d7171fb1"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/e81c386b-64cb-48dd-9aef-ad68d7171fb1"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "bootstrap_labels",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "link_flows_to_their_substance",
"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": {
"2539-26-6": "exactMatch"
},
"general_comment": "Flow name and one synonym interchanged with each other. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
"_transformed": true,
"_provided": {
"name": "3,4,5-Trichloro-2,6-dimethoxyphenol",
"synonyms": [
"3,4,5-tricl-2,6-meo phenol",
"AC1L29T8",
"Phenol, 3,4,5-trichloro-2,6-dimethoxy-",
"Trichlorosyringol"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified (long-term)"
],
"cas_numbers": [
"2539-26-6"
],
"ec_numbers": [],
"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
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