Toluene 2,4-diisocyanate
595d5d33-4f15-417c-ba8a-aa552f17f93b
Identity
- Substance
- fo-e74b0f043abc9856 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Aircraft cruise height
- CAS
- 584-84-9
- EC
- 209-544-5
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Aircraft cruise height
Alternative labels
20- 2,4-Diisocyanatotoluene
- 2,4-TDI
- 2,4-Toluene diisocyanate
- 2,4-Tolylene diisocyanate
- 2,4-diisocyanato-1-methylbenzene
- Isocyanic acid, 4-methyl-m-phenylene ester
- TDI
- Toluylene-2,4-diisocyanate
- Tolylene-2,4-diisocyanate
- toluene-2,4-diyl diisocyanate
- 4-methyl-m-phenylene Diisocyanate
- 1,3-Diisocyanato-4-methylbenzene
- 2,4-Toluylene diisocyanate
- 4-Methyl-1,3-Diisocyanatobenzene
- 4-Methyl-1,3-phenylene diisocyanate
- 4-Methyl-m-phenylene isocyanate
- 4-Methylbenzene-1,3-diyl diisocyanate
- Benzene, 2,4-diisocyanato-1-methyl-
- MeSH ID: D014051
- TDI T 100
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 595d5d33-4f15-417c-ba8a-aa552f17f93b | 4-methyl-m-phenylene diisocyanate | 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 | 595d5d33-4f15-417c-ba8a-aa552f17f93b | 4-methyl-m-phenylene diisocyanate | Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere | 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 | — | 8.2169 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 8.2169 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 8.2169 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 8.2169 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 5.8434e-05 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 5.8434e-05 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 5.8434e-05 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 5.8434e-05 | sole |
History
The change log and the PROV-O trail (4 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": "2,4-Diisocyanatotoluene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2,4-TDI",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2,4-Toluene diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2,4-Tolylene diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2,4-diisocyanato-1-methylbenzene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Isocyanic acid, 4-methyl-m-phenylene ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "TDI",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Toluylene-2,4-diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Tolylene-2,4-diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "toluene-2,4-diyl diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "4-methyl-m-phenylene Diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "original name retained as altLabel"
}
},
{
"@value": "1,3-Diisocyanato-4-methylbenzene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:584-84-9",
"https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,4-Toluylene diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:584-84-9",
"https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Methyl-1,3-Diisocyanatobenzene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:584-84-9",
"https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Methyl-1,3-phenylene diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:584-84-9",
"https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Methyl-m-phenylene isocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:584-84-9",
"https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Methylbenzene-1,3-diyl diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:584-84-9",
"https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzene, 2,4-diisocyanato-1-methyl-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:584-84-9",
"https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MeSH ID: D014051",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:584-84-9",
"https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TDI T 100",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:584-84-9",
"https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C9H6N2O2"
],
"attested_by": {
"C9H6N2O2": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(N=C=O)cc1N=C=O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cc1ccc(N=C=O)cc1N=C=O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,4-Diisocyanatotoluene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(N=C=O)cc1N=C=O"
]
}
],
"attested_by": {
"Cc1ccc(N=C=O)cc1N=C=O": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,4-Diisocyanatotoluene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(N=C=O)cc1N=C=O"
]
}
],
"attested_by": {
"InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DVKJHBMWWAPEIU-UHFFFAOYSA-N"
],
"attested_by": {
"DVKJHBMWWAPEIU-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(N=C=O)cc1N=C=O"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
174.159
],
"attested_by": {
"174.159": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(N=C=O)cc1N=C=O"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
174.042927,
174.04293
],
"attested_by": {
"174.04293": [
"enrich_references.chebi_semantic"
],
"174.042927": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=C(C=C(C=C1)N=C=O)N=C=O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(N=C=O)cc1N=C=O"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,4-Diisocyanatotoluene"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,4-Diisocyanatotoluene"
]
},
"attested_by": {
"2,4-Diisocyanatotoluene": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.302B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.008.678",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0339",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=26006-20-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=28574-89-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=584-84-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=6144-18-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7026156",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4791",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=56759",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Toluene_diisocyanate",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/17X7AFZ1GH",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0245470",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44457",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://pharos.nih.gov/ligands/5D17JUJMW2B7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11443",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[584-84-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2078",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/17042142",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/19647056",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/21725071",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/21878336",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/22151392",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/22206939",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/22229538",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/24572447",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/24950844",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/25042713",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/6296214",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/9811173",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.cdc.gov/niosh-rtecs/CZ602160.html",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53556",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1086446",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=58653",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q415183",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11443;CAS:584-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[584-84-9]"
}
},
{
"@id": "reaxys:744602",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"prefLabel": [
{
"@value": "Toluene 2,4-diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:584-84-9"
],
"prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53556"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"uuid": "595d5d33-4f15-417c-ba8a-aa552f17f93b",
"identifier": "595d5d33-4f15-417c-ba8a-aa552f17f93b",
"source": "EF 3.1",
"cas_numbers": [
"584-84-9"
],
"ec_numbers": [
"209-544-5"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Aircraft cruise height"
},
"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": 8.2169
},
{
"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": 0.000058434
},
{
"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": 0.000058434
},
{
"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": 8.2169
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-aicrhe",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-e74b0f043abc9856",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/595d5d33-4f15-417c-ba8a-aa552f17f93b",
"skos:prefLabel": "4-methyl-m-phenylene diisocyanate",
"context": "Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/595d5d33-4f15-417c-ba8a-aa552f17f93b"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/595d5d33-4f15-417c-ba8a-aa552f17f93b"
},
"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": "consensus_match",
"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": {
"584-84-9": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "4-methyl-m-phenylene diisocyanate",
"synonyms": [
"4-methyl-m-phenylenediisocyanate",
"toluene-2,6-di-isocyanate",
"toluene, 2-, diisocyanate",
"toluene-2,4-diisocyanate",
"benzene, 2,4-diisocyanato-1-methyl-",
"2,4-toluene diisocyanate",
"toluene diisocyanate (tdi)",
"4-methyl-m-phenylene diisocyanate",
"2,4-diisocyanato-1-methylbenzene",
"4methylmphenylenediisocyanate(toluene 2,4diisocyanate)",
"isocyanic acid, 4-methyl-m-phenylene ester",
"toluene 2,4-diisocyanate",
"2,4-diisocyanate-1-methylbenzene",
"toluene-2,4-diisocyanate (2,4-toluene diisocyanate) (benzene, 2,4-diisocyanato-1-methyl-)",
"isocyanic acid, 4-methyl-m-phenylene ester (8ci)",
"scuranateâ®t100",
"scuranateâ®tx",
"2,4-diisocyanate-1-methyl-benzene",
"2,4-diisocyanato-1-methyl-benzene",
"2,4-toluenediisocyanate",
"2,4-toluene-diisocyanate",
"4-methyl-m-phenylendiisocyanat",
"2,6-diisocyanat-toluol",
"4-methyl-m-phenylenediisocyanatetoluene-2,6-di-isocyanate",
"methyl-m-phenylenediisocyanate",
"reactionmassof2-methyl-m-phenylenediisocyanateandtolylene-2,4-diisocyanate",
"toluene-2,4-di-isocyanate",
"tolylene2,4-diisocyanate",
"2,4 Toluenediisocyanate",
"2,4-Diisocyanate, Toluene",
"2,4-Diisocyanato-1-methylbenzene",
"2,4-Diisocyanato-1-methylbenzene (9CI)",
"2,4-Diisocyanato-1-methylbenzene [Toluenediisocyanates]",
"2,4-Diisocyanatotoluene",
"2,4-TDI",
"2,4-Toluene diisocyanate",
"2,4-Toluene diisocyanate, homopolymer",
"2,4-Toluenediisocyanate",
"2,4-Tolylene diisocyanate",
"4-METHYL-m-PHENYLENEDIISOTHIOCYANATE",
"4-Methyl-1,3-phenylene diisocyanate",
"4-Methyl-m-phenylene isocyanate",
"AC1L1XD4",
"AC1Q2EDS",
"AKOS000119430",
"Benzene, 2,4-diisocyanato-1-methyl-",
"Benzene, 2,4-diisocyanato-1-methyl-, homopolymer",
"Benzene, diisocyanatomethyl-",
"Cresorcinol diisocyanate",
"Desmodur T80",
"Di-iso-cyanatoluene",
"Di-isocyanate de toluylene",
"Diisocyanat-toluol",
"Diisocyanate, Toluene",
"Diisocyanate, Tolylene",
"Hylene T",
"Hylene tlc",
"Isocyanic acid, 4-methyl-m-phenylene ester",
"Isocyanic acid, 4-methyl-m-phenylene ester (8CI)",
"Isocyanic acid, methylphenylene ester",
"Mondur TD",
"Mondur TD-80",
"Mondur TDS",
"NCI-C50533",
"Nacconate IOO",
"SBB064237",
"T0263",
"TDI-80",
"TOLUENE 2,4-DIISOCYANATE",
"TOLUENE, 2,4-DIISOCYANATE",
"Tolueen-diisocyanaat",
"Toluen-disocianato",
"Toluene 2,4 Diisocyanate",
"Toluene, 2,4-diisocyanato-",
"Toluene-2,4-diisocyanate",
"Toluilenodwuizocyjanian",
"Toluylene-2,4-diisocyanate",
"Tolyene 2,4-diisocyanate",
"Tolylene 2,4-diisocyanate",
"Tolylene diisocyanate",
"Tolylene-2,4-diisocyanate",
"Tuluylendiisocyanat"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to lower stratosphere and upper troposphere"
],
"cas_numbers": [
"584-84-9"
],
"ec_numbers": [
"209-544-5"
],
"unit": "kg"
}
}