Hexamethylene diisocyanate
08a91e70-3ddc-11dd-945d-0050c2490048
Identity
- Substance
- fo-d1c84a2ca4c3ea06 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Long-term
- CAS
- 822-06-0
- EC
- 212-485-8
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Long-term
Alternative labels
17- 1,6-Diisocyanatohexane
- 1,6-Hexanediol diisocyanate
- 1,6-Hexylene diisocyanate
- HDI
- HMDI
- Hexamethylene-1,6-diisocyanate
- Hexane 1,6-diisocyanate
- 1,6-hexamethylene Diisocyanate
- 1,6-Diisocyanatohexamethylene
- 1,6-Hexane diisocyanate
- Coronate HDI
- GMDI
- H 106273
- HMNCO
- HXT
- Hexane, 1,6-diisocyanato-
- Isocyanic acid, hexamethylene ester
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 08a91e70-3ddc-11dd-945d-0050c2490048 | 1,6-hexamethylene 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 | 08a91e70-3ddc-11dd-945d-0050c2490048 | 1,6-hexamethylene diisocyanate | Emissions/Emissions to air/Emissions to air, 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 (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": "1,6-Diisocyanatohexane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "1,6-Hexanediol diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "1,6-Hexylene diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "HDI",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "HMDI",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Hexamethylene-1,6-diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Hexane 1,6-diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "1,6-hexamethylene 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": "1,6-Diisocyanatohexamethylene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:822-06-0",
"https://commonchemistry.cas.org/detail?cas_rn=822-06-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,6-Hexane diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:822-06-0",
"https://commonchemistry.cas.org/detail?cas_rn=822-06-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Coronate HDI",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:822-06-0",
"https://commonchemistry.cas.org/detail?cas_rn=822-06-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "GMDI",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:822-06-0",
"https://commonchemistry.cas.org/detail?cas_rn=822-06-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "H 106273",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:822-06-0",
"https://commonchemistry.cas.org/detail?cas_rn=822-06-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "HMNCO",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:822-06-0",
"https://commonchemistry.cas.org/detail?cas_rn=822-06-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "HXT",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:822-06-0",
"https://commonchemistry.cas.org/detail?cas_rn=822-06-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexane, 1,6-diisocyanato-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:822-06-0",
"https://commonchemistry.cas.org/detail?cas_rn=822-06-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isocyanic acid, hexamethylene ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:822-06-0",
"https://commonchemistry.cas.org/detail?cas_rn=822-06-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H12N2O2"
],
"attested_by": {
"C8H12N2O2": [
"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_53578"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C=NCCCCCCN=C=O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C=NCCCCCCN=C=O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Hexamethylene diisocyanate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C=NCCCCCCN=C=O"
]
}
],
"attested_by": {
"O=C=NCCCCCCN=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/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Hexamethylene diisocyanate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C=NCCCCCCN=C=O"
]
}
],
"attested_by": {
"InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"RRAMGCGOFNQTLD-UHFFFAOYSA-N"
],
"attested_by": {
"RRAMGCGOFNQTLD-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_53578"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C=NCCCCCCN=C=O"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
168.196
],
"attested_by": {
"168.196": [
"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_53578"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C=NCCCCCCN=C=O"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
168.089878,
168.08988
],
"attested_by": {
"168.08988": [
"enrich_references.chebi_semantic"
],
"168.089878": [
"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_53578"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(CCCN=C=O)CCN=C=O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C=NCCCCCCN=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_53578"
],
"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": [
"Hexamethylene diisocyanate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Hexamethylene diisocyanate"
]
},
"attested_by": {
"Hexamethylene diisocyanate": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "gmelin:50636",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.123G",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.011.350",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.114.377",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0278",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=28182-81-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=28574-90-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=53895-37-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=822-06-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID4024143",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=11687",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Hexamethylene_diisocyanate",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0I70A3I1UF",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0244241",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://hts.usitc.gov/search?query=2929.10.35.00",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://pharos.nih.gov/ligands/MMU45M5Z992Z",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/13192",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[822-06-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2281",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/11927838",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/16731584",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@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_53578"
],
"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_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/22293954",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/22419182",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/22449630",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/23178851",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/23262421",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/23421488",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/24083673",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"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_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.cdc.gov/niosh-rtecs/MO1A8CE0.html",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53578",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1896533",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=58660",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q418197",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:13192;CAS:822-06-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[822-06-0]"
}
},
{
"@id": "reaxys:956709",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"prefLabel": [
{
"@value": "Hexamethylene diisocyanate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:822-06-0"
],
"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 diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_53578"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"uuid": "08a91e70-3ddc-11dd-945d-0050c2490048",
"identifier": "08a91e70-3ddc-11dd-945d-0050c2490048",
"source": "EF 3.1",
"cas_numbers": [
"822-06-0"
],
"ec_numbers": [
"212-485-8"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "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-air-lote",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-d1c84a2ca4c3ea06",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-11dd-945d-0050c2490048",
"skos:prefLabel": "1,6-hexamethylene diisocyanate",
"context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-945d-0050c2490048"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-945d-0050c2490048"
},
"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": {
"822-06-0": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "1,6-hexamethylene diisocyanate",
"synonyms": [
"1,6-Diisocyanatohexane",
"1,6-Hexanediol diisocyanate",
"1,6-Hexylene diisocyanate",
"1,6-hexane diisocyanate",
"AC1L218C",
"AC1Q6BNG",
"AKOS000120355",
"Desmodur H",
"H0324",
"HDI cpd",
"HEXAMETHYLENE DIISOCYANATE",
"HEXANE,1,6-DIISOCYANATE",
"HMDI",
"Hexamethylendiisokyanat",
"Hexamethylene 1,6-diisocyanate",
"Hexamethylene diisocyanate, 1,6-",
"Hexamethylene-1,6-diisocyanate",
"Hexamethylene-1,6-diisocyanate [Diisocyanates]",
"Hexane 1,6-diisocyanate",
"Hexane, 1,6-diisocyanato-",
"Isocyanic acid, diester with 1,6-hexanediol",
"Isocyanic acid, hexamethylene ester",
"Isocyanic acid, hexamethylene ester (8CI)",
"Metyleno-bis-fenyloizocyjanian",
"Poly(hexamethylene diisocyanate)",
"S14-0954",
"SBB069499",
"Szesciometylenodwuizocyjanian"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified (long-term)"
],
"cas_numbers": [
"822-06-0"
],
"ec_numbers": [
"212-485-8"
],
"unit": "kg"
}
}