((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
baaa7220-46c6-4648-bc45-4a5af6ddda2c
Identity
- Substance
- fo-54359fdc91b1271a NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Ground level → Urban (>1000 people/square mile)
- CAS
- 1404190-37-9
- EC
- 801-941-7
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Urban (>1000 people/square mile)
- Strata
- Ground level
Alternative labels
2- 1-(Decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)benzene
- Benzene, 1-(decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | baaa7220-46c6-4648-bc45-4a5af6ddda2c | ((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene | 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 | baaa7220-46c6-4648-bc45-4a5af6ddda2c | ((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene | Emissions/Emissions to air/Emissions to urban air close to ground | exactMatch | — |
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": "1-(Decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)benzene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1404190-37-9",
"https://commonchemistry.cas.org/detail?cas_rn=1404190-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzene, 1-(decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1404190-37-9",
"https://commonchemistry.cas.org/detail?cas_rn=1404190-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C39H48O"
],
"attested_by": {
"C39H48O": [
"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:129318102"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GAXIFKVOUILVHY-UHFFFAOYSA-N"
],
"attested_by": {
"GAXIFKVOUILVHY-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:129318102"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
]
}
],
"attested_by": {
"CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C39H48O/c1-4-6-7-8-9-10-11-21-30-40-38-29-28-36(31-37(38)32(3)5-2)39(33-22-15-12-16-23-33,34-24-17-13-18-25-34)35-26-19-14-20-27-35/h12-20,22-29,31-32H,4-11,21,30H2,1-3H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
]
}
],
"attested_by": {
"InChI=1S/C39H48O/c1-4-6-7-8-9-10-11-21-30-40-38-29-28-36(31-37(38)32(3)5-2)39(33-22-15-12-16-23-33,34-24-17-13-18-25-34)35-26-19-14-20-27-35/h12-20,22-29,31-32H,4-11,21,30H2,1-3H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene"
]
},
"attested_by": {
"((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
532.812
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C)CC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
]
}
],
"attested_by": {
"532.812": [
"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": [
532.370516
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C)CC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)CC"
]
}
],
"attested_by": {
"532.370516": [
"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/100.228.697",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:129318102;CAS:1404190-37-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1404190-37-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1404190-37-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:129318102;CAS:1404190-37-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1404190-37-9]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID50889302",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:129318102;CAS:1404190-37-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1404190-37-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/129318102",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:129318102;CAS:1404190-37-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[1404190-37-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82869155",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:129318102;CAS:1404190-37-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1404190-37-9]"
}
}
],
"prefLabel": [
{
"@value": "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene",
"@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": "baaa7220-46c6-4648-bc45-4a5af6ddda2c",
"identifier": "baaa7220-46c6-4648-bc45-4a5af6ddda2c",
"source": "EF 3.1",
"cas_numbers": [
"1404190-37-9"
],
"ec_numbers": [
"801-941-7"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Ground level",
"population_density": "Urban (>1000 people/square mile)"
},
"synonyms": [],
"lcia_methods": [
{
"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": 9.1892e-8
},
{
"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": 9.1892e-8
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-54359fdc91b1271a",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/baaa7220-46c6-4648-bc45-4a5af6ddda2c",
"skos:prefLabel": "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene",
"context": "Emissions/Emissions to air/Emissions to urban air close to ground",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/baaa7220-46c6-4648-bc45-4a5af6ddda2c"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/baaa7220-46c6-4648-bc45-4a5af6ddda2c"
},
"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": "consensus_match",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"1404190-37-9": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "((3-(sec-butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene",
"synonyms": [
"organic",
"accutraces-10",
"accutraces4-10"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to urban air close to ground"
],
"cas_numbers": [
"1404190-37-9"
],
"ec_numbers": [
"801-941-7"
],
"unit": "kg"
}
}