Phenol, 4-methyl-, Reaction Products With Dicyclopentadiene And Isobutylene
80afa3c0-15a4-4e33-91dc-153f49d02401
Identity
- Substance
- fo-f3fdfdcb813f91de Molecular complex
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Unknown
- CAS
- 68610-51-5
- EC
- 271-867-2
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Unknown
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 80afa3c0-15a4-4e33-91dc-153f49d02401 | phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene | 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 | 80afa3c0-15a4-4e33-91dc-153f49d02401 | phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene | Emissions/Emissions to air/Emissions to air, unspecified | 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 | — | 255.02 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 255.02 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 255.02 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 255.02 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 4.0753e-06 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 4.0753e-06 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 4.0753e-06 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 4.0753e-06 | sole |
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
{
"altLabel": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C21H28O"
],
"attested_by": {
"C21H28O": [
"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:162222"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"UQQYHXZNSYZMEN-UHFFFAOYSA-N"
],
"attested_by": {
"UQQYHXZNSYZMEN-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:162222"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3"
],
"attested_by": {
"CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3": [
"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:162222"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C10H12.C7H8O.C4H8/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-6-2-4-7(8)5-3-6;1-4(2)3/h1-2,4-5,7-10H,3,6H2;2-5,8H,1H3;1H2,2-3H3"
],
"attested_by": {
"InChI=1S/C10H12.C7H8O.C4H8/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-6-2-4-7(8)5-3-6;1-4(2)3/h1-2,4-5,7-10H,3,6H2;2-5,8H,1H3;1H2,2-3H3": [
"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:162222"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2-methylprop-1-ene;p-cresol;tricyclo[5.2.1.02,6]deca-3,8-diene",
"4-methylphenol;2-methyl-1-propene;tricyclo[5.2.1.02,6]deca-3,8-diene",
"4-methylphenol;2-methylprop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene",
"isobutylene;p-cresol;tricyclo[5.2.1.02,6]deca-3,8-diene"
],
"attested_by": {
"2-methylprop-1-ene;p-cresol;tricyclo[5.2.1.02,6]deca-3,8-diene": [
"enrich_references.pubchem_semantic"
],
"4-methylphenol;2-methyl-1-propene;tricyclo[5.2.1.02,6]deca-3,8-diene": [
"enrich_references.pubchem_semantic"
],
"4-methylphenol;2-methylprop-1-ene;tricyclo[5.2.1.02,6]deca-3,8-diene": [
"enrich_references.pubchem_semantic"
],
"isobutylene;p-cresol;tricyclo[5.2.1.02,6]deca-3,8-diene": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162222"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
296.454
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3"
]
}
],
"attested_by": {
"296.454": [
"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": [
296.214016
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC=C(C=C1)O.CC(=C)C.C1C=CC2C1C3CC2C=C3"
]
}
],
"attested_by": {
"296.214016": [
"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/100.065.314",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162222;CAS:68610-51-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[68610-51-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=68610-51-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162222;CAS:68610-51-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[68610-51-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/162222",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162222;CAS:68610-51-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[68610-51-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q126609212",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162222;CAS:68610-51-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[68610-51-5]"
}
}
],
"prefLabel": [
{
"@value": "Phenol, 4-methyl-, Reaction Products With Dicyclopentadiene And Isobutylene",
"@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": "80afa3c0-15a4-4e33-91dc-153f49d02401",
"identifier": "80afa3c0-15a4-4e33-91dc-153f49d02401",
"source": "EF 3.1",
"cas_numbers": [
"68610-51-5"
],
"ec_numbers": [
"271-867-2"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "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": 255.02
},
{
"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": 4.0753e-6
},
{
"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": 4.0753e-6
},
{
"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": 255.02
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-f3fdfdcb813f91de",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/80afa3c0-15a4-4e33-91dc-153f49d02401",
"skos:prefLabel": "phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene",
"context": "Emissions/Emissions to air/Emissions to air, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/80afa3c0-15a4-4e33-91dc-153f49d02401"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/80afa3c0-15a4-4e33-91dc-153f49d02401"
},
"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",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"68610-51-5": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene",
"synonyms": [
"organic",
"phenol,4-methyl-,reactionproductswithdicyclopentadieneandisobutylene",
"antioxl",
"antioxidant616",
"ionollc",
"kumanox5010",
"lowinox22cp46(readacrossforlowinoxcpl)",
"lowinoxcpl",
"oktolite888f",
"oktolite888p",
"raloxlc",
"santowhiteml",
"vulkanoxskf",
"wingstayl",
"wingstay-l-hls"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified"
],
"cas_numbers": [
"68610-51-5"
],
"ec_numbers": [
"271-867-2"
],
"unit": "kg"
}
}