5-ethyl-m-cresol
ca0d6d5b-e1e5-40e7-8ee8-83b79b2d1969
Identity
- Substance
- fo-5acd0cfac5457ca1 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Unknown
- CAS
- 698-71-5
- EC
- 211-818-4
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unknown
Alternative labels
4- 3-Ethyl-5-methylphenol
- 3-Methyl-5-ethylphenol
- m-Cresol, 5-ethyl-
- Phenol, 3-ethyl-5-methyl-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | ca0d6d5b-e1e5-40e7-8ee8-83b79b2d1969 | 5-ethyl-m-cresol | 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 | ca0d6d5b-e1e5-40e7-8ee8-83b79b2d1969 | 5-ethyl-m-cresol | Emissions/Emissions to water/Emissions to water, 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 | — | 457.42 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 457.42 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 457.42 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 457.42 | 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": "3-Ethyl-5-methylphenol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:698-71-5",
"https://commonchemistry.cas.org/detail?cas_rn=698-71-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Methyl-5-ethylphenol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:698-71-5",
"https://commonchemistry.cas.org/detail?cas_rn=698-71-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "m-Cresol, 5-ethyl-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:698-71-5",
"https://commonchemistry.cas.org/detail?cas_rn=698-71-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenol, 3-ethyl-5-methyl-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:698-71-5",
"https://commonchemistry.cas.org/detail?cas_rn=698-71-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C9H12O"
],
"attested_by": {
"C9H12O": [
"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:12775"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCc1cc(C)cc(O)c1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XTCHLXABLZQNNN-UHFFFAOYSA-N"
],
"attested_by": {
"XTCHLXABLZQNNN-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:12775"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCc1cc(C)cc(O)c1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCc1cc(C)cc(O)c1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"5-ethyl-m-cresol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCc1cc(C)cc(O)c1"
]
}
],
"attested_by": {
"CCc1cc(C)cc(O)c1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"5-ethyl-m-cresol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCc1cc(C)cc(O)c1"
]
}
],
"attested_by": {
"InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"5-ethyl-m-cresol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"5-ethyl-m-cresol"
]
},
"attested_by": {
"5-ethyl-m-cresol": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
136.194
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC1=CC(=CC(=C1)C)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCc1cc(C)cc(O)c1"
]
}
],
"attested_by": {
"136.194": [
"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": [
136.088815
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC1=CC(=CC(=C1)C)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCc1cc(C)cc(O)c1"
]
}
],
"attested_by": {
"136.088815": [
"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=J44.154F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.010.746",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=698-71-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID60220101",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62673",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8885",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZV1NMG73ZT",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0038985",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12775",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[698-71-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:196443",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48398",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27295901",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12775;CAS:698-71-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[698-71-5]"
}
}
],
"prefLabel": [
{
"@value": "5-ethyl-m-cresol",
"@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": "ca0d6d5b-e1e5-40e7-8ee8-83b79b2d1969",
"identifier": "ca0d6d5b-e1e5-40e7-8ee8-83b79b2d1969",
"source": "EF 3.1",
"cas_numbers": [
"698-71-5"
],
"ec_numbers": [
"211-818-4"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "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": 457.42
},
{
"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": 457.42
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-5acd0cfac5457ca1",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/ca0d6d5b-e1e5-40e7-8ee8-83b79b2d1969",
"skos:prefLabel": "5-ethyl-m-cresol",
"context": "Emissions/Emissions to water/Emissions to water, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/ca0d6d5b-e1e5-40e7-8ee8-83b79b2d1969"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/ca0d6d5b-e1e5-40e7-8ee8-83b79b2d1969"
},
"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": "bootstrap_labels",
"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"
},
"cas_match_labels": {
"698-71-5": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "5-ethyl-m-cresol",
"synonyms": [
"1-Hydroxy-3-methyl-5-ethylbenzene",
"3-ETHYL-5-METHYLPHENOL",
"3-Methyl-5-ethylphenol",
"AC1L20C1",
"AC1Q2TBC",
"Phenol, 3-ethyl-5-methyl-",
"Phenol, 3-ethyl-5-methyl- (9CI)",
"S01-0699",
"m-Cresol, 5-ethyl-",
"m-Cresol, 5-ethyl- (8CI)"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to water, unspecified"
],
"cas_numbers": [
"698-71-5"
],
"ec_numbers": [
"211-818-4"
],
"unit": "kg"
}
}