Reaction Product Of 2,4-di (tert-butyl)phenol, Phosphorous Trichloride And Biphenyl
9b7d1d43-c00b-45f5-932a-a782aeb78d28
Identity
- Substance
- fo-8fd7ca4877456516 Molecular complex
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Long-term
- CAS
- 119345-01-6
- EC
- 432-130-2
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Long-term
Alternative labels
1- Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 9b7d1d43-c00b-45f5-932a-a782aeb78d28 | reaction product of 2,4-di (tert-butyl)phenol, phosphorous trichloride and biphenyl | 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 | 9b7d1d43-c00b-45f5-932a-a782aeb78d28 | reaction product of 2,4-di (tert-butyl)phenol, phosphorous trichloride and biphenyl | Emissions/Emissions to water/Emissions to water, unspecified (long-term) | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4 (0 non-zero)
- European Commission — JRC 4 (0 non-zero)
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 | — | 0 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 0 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 0 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 0 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 0 | 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": "Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:119345-01-6",
"https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C26H32Cl3OP"
],
"attested_by": {
"C26H32Cl3OP": [
"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:159495"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZFUOUGCLKHYEIY-UHFFFAOYSA-N"
],
"attested_by": {
"ZFUOUGCLKHYEIY-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:159495"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl"
],
"attested_by": {
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:159495"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C14H22O.C12H10.Cl3P/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h7-9,15H,1-6H3;1-10H;"
],
"attested_by": {
"InChI=1S/C14H22O.C12H10.Cl3P/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h7-9,15H,1-6H3;1-10H;": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:159495"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"1,1'-biphenyl;2,4-ditert-butylphenol;trichlorophosphane",
"1,1'-biphenyl;2,4-ditert-butylphenol;trichlorophosphine",
"1,1'-biphenyl;2,4-ditert-butylphenol;tris(chloranyl)phosphane",
"biphenyl;2,4-ditert-butylphenol;trichlorophosphane",
"biphenyl;2,4-ditert-butylphenol;trichlorophosphine"
],
"attested_by": {
"1,1'-biphenyl;2,4-ditert-butylphenol;trichlorophosphane": [
"enrich_references.pubchem_semantic"
],
"1,1'-biphenyl;2,4-ditert-butylphenol;trichlorophosphine": [
"enrich_references.pubchem_semantic"
],
"1,1'-biphenyl;2,4-ditert-butylphenol;tris(chloranyl)phosphane": [
"enrich_references.pubchem_semantic"
],
"biphenyl;2,4-ditert-butylphenol;trichlorophosphane": [
"enrich_references.pubchem_semantic"
],
"biphenyl;2,4-ditert-butylphenol;trichlorophosphine": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:159495"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
497.874
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl"
]
}
],
"attested_by": {
"497.874": [
"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": [
496.125635
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl"
]
}
],
"attested_by": {
"496.125635": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.103.039",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:159495;CAS:119345-01-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[119345-01-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=119345-01-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:159495;CAS:119345-01-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[119345-01-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/159495",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:159495;CAS:119345-01-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[119345-01-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72507268",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:159495;CAS:119345-01-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[119345-01-6]"
}
}
],
"prefLabel": [
{
"@value": "Reaction Product Of 2,4-di (tert-butyl)phenol, Phosphorous Trichloride And Biphenyl",
"@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/MolecularComplex"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "9b7d1d43-c00b-45f5-932a-a782aeb78d28",
"identifier": "9b7d1d43-c00b-45f5-932a-a782aeb78d28",
"source": "EF 3.1",
"cas_numbers": [
"119345-01-6"
],
"ec_numbers": [
"432-130-2"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "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": "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": 0.0
},
{
"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": 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"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-lote",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-8fd7ca4877456516",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/9b7d1d43-c00b-45f5-932a-a782aeb78d28",
"skos:prefLabel": "reaction product of 2,4-di (tert-butyl)phenol, phosphorous trichloride and biphenyl",
"context": "Emissions/Emissions to water/Emissions to water, unspecified (long-term)",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/9b7d1d43-c00b-45f5-932a-a782aeb78d28"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/9b7d1d43-c00b-45f5-932a-a782aeb78d28"
},
"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": {
"119345-01-6": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "reaction product of 2,4-di (tert-butyl)phenol, phosphorous trichloride and biphenyl",
"synonyms": [
"organic",
"sandostabp-epq",
"alkanoxp-epq"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to water, unspecified (long-term)"
],
"cas_numbers": [
"119345-01-6"
],
"ec_numbers": [
"432-130-2"
],
"unit": "kg"
}
}