2-hydroxy-5-(1-oxooctyl)benzoic Acid
0b579515-127b-453f-8a22-88050de02a38
Identity
- Substance
- fo-e58704bdd14ff4f1 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Non-agricultural
- CAS
- 78418-01-6
- EC
- 417-790-1
Context
- Dimension
- Environmental
- Geography
- Non-agricultural
- Media
- Ground
Alternative labels
7- 2-Hydroxy-5-octanoylbenzoic acid
- 5-n-Octanoylsalicylic acid
- 5-Octanoylsalicylic acid
- n-Octanoyl-5-salicylic acid
- Benzoic acid, 2-hydroxy-5-(1-oxooctyl)-
- Effaclark
- β-Lipohydroxy acid
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 0b579515-127b-453f-8a22-88050de02a38 | 2-hydroxy-5-(1-oxooctyl)benzoic acid | 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 | 0b579515-127b-453f-8a22-88050de02a38 | 2-hydroxy-5-(1-oxooctyl)benzoic acid | Emissions/Emissions to soil/Emissions to non-agricultural soil | 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 | — | 4.4157 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 4.4157 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 4.4157 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 4.4157 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 1.5103e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.5103e-07 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 1.5103e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.5103e-07 | 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-Hydroxy-5-octanoylbenzoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78418-01-6",
"https://commonchemistry.cas.org/detail?cas_rn=78418-01-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-n-Octanoylsalicylic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78418-01-6",
"https://commonchemistry.cas.org/detail?cas_rn=78418-01-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-Octanoylsalicylic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78418-01-6",
"https://commonchemistry.cas.org/detail?cas_rn=78418-01-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "n-Octanoyl-5-salicylic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78418-01-6",
"https://commonchemistry.cas.org/detail?cas_rn=78418-01-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzoic acid, 2-hydroxy-5-(1-oxooctyl)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78418-01-6",
"https://commonchemistry.cas.org/detail?cas_rn=78418-01-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Effaclark",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78418-01-6",
"https://commonchemistry.cas.org/detail?cas_rn=78418-01-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "β-Lipohydroxy acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78418-01-6",
"https://commonchemistry.cas.org/detail?cas_rn=78418-01-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C15H20O4"
],
"attested_by": {
"C15H20O4": [
"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:9838158"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"IXIGWKNBFPKCCD-UHFFFAOYSA-N"
],
"attested_by": {
"IXIGWKNBFPKCCD-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:9838158"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-hydroxy-5-(1-oxooctyl)benzoic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1"
]
}
],
"attested_by": {
"CCCCCCCC(=O)c1ccc(O)c(C(=O)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/C15H20O4/c1-2-3-4-5-6-7-13(16)11-8-9-14(17)12(10-11)15(18)19/h8-10,17H,2-7H2,1H3,(H,18,19)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-hydroxy-5-(1-oxooctyl)benzoic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1"
]
}
],
"attested_by": {
"InChI=1S/C15H20O4/c1-2-3-4-5-6-7-13(16)11-8-9-14(17)12(10-11)15(18)19/h8-10,17H,2-7H2,1H3,(H,18,19)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-hydroxy-5-(1-oxooctyl)benzoic Acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-hydroxy-5-(1-oxooctyl)benzoic Acid"
]
},
"attested_by": {
"2-hydroxy-5-(1-oxooctyl)benzoic Acid": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
264.321
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1"
]
}
],
"attested_by": {
"264.321": [
"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": [
264.136159
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1"
]
}
],
"attested_by": {
"264.136159": [
"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=J2.458.858K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9838158;CAS:78418-01-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78418-01-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.101.664",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9838158;CAS:78418-01-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78418-01-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.233.084",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9838158;CAS:78418-01-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78418-01-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=78418-01-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"78418-01-6"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID801025584",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9838158;CAS:78418-01-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78418-01-6]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5F7PJF6AA4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9838158;CAS:78418-01-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78418-01-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/9838158",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9838158;CAS:78418-01-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[78418-01-6]"
}
},
{
"@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1492035",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9838158;CAS:78418-01-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78418-01-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q209407",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9838158;CAS:78418-01-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78418-01-6]"
}
}
],
"prefLabel": [
{
"@value": "2-hydroxy-5-(1-oxooctyl)benzoic Acid",
"@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": "0b579515-127b-453f-8a22-88050de02a38",
"identifier": "0b579515-127b-453f-8a22-88050de02a38",
"source": "EF 3.1",
"cas_numbers": [
"78418-01-6"
],
"ec_numbers": [
"417-790-1"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Non-agricultural"
},
"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": 4.4157
},
{
"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": 1.5103e-7
},
{
"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": 1.5103e-7
},
{
"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": 4.4157
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-noag",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-e58704bdd14ff4f1",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/0b579515-127b-453f-8a22-88050de02a38",
"skos:prefLabel": "2-hydroxy-5-(1-oxooctyl)benzoic acid",
"context": "Emissions/Emissions to soil/Emissions to non-agricultural soil",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/0b579515-127b-453f-8a22-88050de02a38"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/0b579515-127b-453f-8a22-88050de02a38"
},
"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": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"78418-01-6": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "2-hydroxy-5-(1-oxooctyl)benzoic acid",
"synonyms": [
"organic",
"mexorylsab"
],
"context": [
"Emissions",
"Emissions to soil",
"Emissions to non-agricultural soil"
],
"cas_numbers": [
"78418-01-6"
],
"ec_numbers": [
"417-790-1"
],
"unit": "kg"
}
}