Grotan
08a91e70-3ddc-11dd-a179-0050c2490048
Identity
- Substance
- fo-7d52365360af8397 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Ocean
- CAS
- 4719-04-4
- EC
- 225-208-0
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Ocean
Alternative labels
34- 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol
- 1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
- 1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine
- 1,3,5-Tris(2-hydroxyethyl)hexahydro-s-triazine
- 1,3,5-Tris(hydroxyethyl)-S-triazine
- 2,2′,2′′-(Hexahydro-1,3,5-triazine-1,3,5-triyl)triethanol
- 2-[3,5-Bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol
- N,N′,N′′-Tris(2-hydroxyethyl)hexahydro-s-triazine
- N,N′,N′′-Tris(β-hydroxyethyl)hexahydro-s-triazine
- s-Triazine-1,3,5(2H,4H,6H)-triethanol
- Actane
- Acticide GR
- Amebact C
- BK
- Bactraclean
- Bioban GK
- Biocide BK
- Cobate C
- Dodigen NJ
- Grotan B
- Grotan BK
- Hexahydro-1,3,5-tri(2-hydroxyethyl)-s-triazine
- Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine
- Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine
- Hydroxyethyl hexahydrotriazine
- Kalpur TE
- Nipacide BK
- Permachem OB 2
- Polibaccid
- Protectol HT
- Roksol T 1-7
- Surcide D
- Surcide P
- Triadine 3
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 08a91e70-3ddc-11dd-a179-0050c2490048 | Grotan | 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-a179-0050c2490048 | Grotan | Emissions/Emissions to water/Emissions to sea water | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
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 | — | 4.0691e-08 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 4.0691e-08 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 4.0691e-08 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 4.0691e-08 | 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": "1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazacyclohexane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3,5-Tris(2-hydroxyethyl)hexahydro-s-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3,5-Tris(hydroxyethyl)-S-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2′,2′′-(Hexahydro-1,3,5-triazine-1,3,5-triyl)triethanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-[3,5-Bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′,N′′-Tris(2-hydroxyethyl)hexahydro-s-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′,N′′-Tris(β-hydroxyethyl)hexahydro-s-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "s-Triazine-1,3,5(2H,4H,6H)-triethanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Actane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acticide GR",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Amebact C",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "BK",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bactraclean",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bioban GK",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Biocide BK",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobate C",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dodigen NJ",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Grotan B",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Grotan BK",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexahydro-1,3,5-tri(2-hydroxyethyl)-s-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hydroxyethyl hexahydrotriazine",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kalpur TE",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nipacide BK",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Permachem OB 2",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Polibaccid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Protectol HT",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Roksol T 1-7",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Surcide D",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Surcide P",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Triadine 3",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:4719-04-4",
"https://commonchemistry.cas.org/detail?cas_rn=4719-04-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C9H21N3O3"
],
"attested_by": {
"C9H21N3O3": [
"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:104556"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCCN1CN(CCO)CN(CCO)C1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HUHGPYXAVBJSJV-UHFFFAOYSA-N"
],
"attested_by": {
"HUHGPYXAVBJSJV-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:104556"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCCN1CN(CCO)CN(CCO)C1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"OCCN1CN(CCO)CN(CCO)C1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCCN1CN(CCO)CN(CCO)C1"
]
}
],
"attested_by": {
"OCCN1CN(CCO)CN(CCO)C1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCCN1CN(CCO)CN(CCO)C1"
]
}
],
"attested_by": {
"InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol"
]
},
"attested_by": {
"1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
219.285
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1N(CN(CN1CCO)CCO)CCO"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCCN1CN(CCO)CN(CCO)C1"
]
}
],
"attested_by": {
"219.285": [
"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": [
219.158292
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1N(CN(CN1CCO)CCO)CCO"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCCN1CN(CCO)CN(CCO)C1"
]
}
],
"attested_by": {
"219.158292": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.219E",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104556;CAS:4719-04-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[4719-04-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.022.916",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104556;CAS:4719-04-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[4719-04-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=4719-04-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4719-04-4"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7025394",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104556;CAS:4719-04-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[4719-04-4]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=516387",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104556;CAS:4719-04-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[4719-04-4]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OU2JEB22IE",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104556;CAS:4719-04-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[4719-04-4]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0243492",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104556;CAS:4719-04-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[4719-04-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/104556",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104556;CAS:4719-04-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[4719-04-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2810",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104556;CAS:4719-04-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[4719-04-4]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561636",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104556;CAS:4719-04-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[4719-04-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27285845",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104556;CAS:4719-04-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[4719-04-4]"
}
}
],
"prefLabel": [
{
"@value": "Grotan",
"@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": "08a91e70-3ddc-11dd-a179-0050c2490048",
"identifier": "08a91e70-3ddc-11dd-a179-0050c2490048",
"source": "EF 3.1",
"cas_numbers": [
"4719-04-4"
],
"ec_numbers": [
"225-208-0"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Ocean"
},
"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": 4.0691e-8
},
{
"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": 4.0691e-8
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-ocea",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-7d52365360af8397",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-11dd-a179-0050c2490048",
"skos:prefLabel": "Grotan",
"context": "Emissions/Emissions to water/Emissions to sea water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-a179-0050c2490048"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/08a91e70-3ddc-11dd-a179-0050c2490048"
},
"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": "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": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"4719-04-4": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "Grotan",
"synonyms": [
"1,3,5-TRIAZINE-1,3,5(2H,4H, 6H)-TRIETHANOL",
"2-[4,6-bis(2-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol",
"AC1L2H3I"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to sea water"
],
"cas_numbers": [
"4719-04-4"
],
"ec_numbers": [
"225-208-0"
],
"unit": "kg"
}
}