2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]
a67d1bd7-f799-45a8-a4ee-e55afaefe52a
Identity
- Substance
- fo-ac3758087d88be47 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Ocean
- CAS
- 126-58-9
- EC
- 204-794-1
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Ocean
Alternative labels
26- 1,3-Propanediol, 2,2′-[oxybis(methylene)]bis[2-(hydroxymethyl)-
- 2,2,2′,2′-Tetrakis(hydroxymethyl)-3,3′-oxydipropan-1-ol
- 2,2,6,6-Tetrakis(hydroxymethyl)-4-oxaheptane-1,7-diol
- 2,2′-(Oxybis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol)
- 2,2′-[Oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol]
- 2-[[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
- Bis(pentaerythritol)
- Charflam 300DP
- Charmor DP 15
- Charmor DP 40
- D 806414
- DPER AR
- DPER-HY
- Di-Penta 93
- Di-Pentarit
- Di-Pentarit 300
- Dipenta 85
- Dipenta 90
- Dipentaerythritol
- Dipentalide
- Dipentarit SP
- Dipentek
- Holtac D
- JLS Dipenta
- Neulizer N
- Voxtar D 40
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | a67d1bd7-f799-45a8-a4ee-e55afaefe52a | 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol] | 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 | a67d1bd7-f799-45a8-a4ee-e55afaefe52a | 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol] | Emissions/Emissions to water/Emissions to sea water | 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 | — | 3.5710e-11 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 3.5710e-11 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 3.5710e-11 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 3.5710e-11 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 1.2631e-11 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.2631e-11 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 1.2631e-11 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.2631e-11 | 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-Propanediol, 2,2′-[oxybis(methylene)]bis[2-(hydroxymethyl)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2,2′,2′-Tetrakis(hydroxymethyl)-3,3′-oxydipropan-1-ol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2,6,6-Tetrakis(hydroxymethyl)-4-oxaheptane-1,7-diol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2′-(Oxybis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2′-[Oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol]",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-[[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(pentaerythritol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Charflam 300DP",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Charmor DP 15",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Charmor DP 40",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "D 806414",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DPER AR",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DPER-HY",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Di-Penta 93",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Di-Pentarit",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Di-Pentarit 300",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dipenta 85",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dipenta 90",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dipentaerythritol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dipentalide",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dipentarit SP",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dipentek",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Holtac D",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "JLS Dipenta",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Neulizer N",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Voxtar D 40",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:126-58-9",
"https://commonchemistry.cas.org/detail?cas_rn=126-58-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H22O7"
],
"attested_by": {
"C10H22O7": [
"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:31352"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(CO)(CO)COCC(CO)(CO)CO"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"TXBCBTDQIULDIA-UHFFFAOYSA-N"
],
"attested_by": {
"TXBCBTDQIULDIA-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:31352"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(CO)(CO)COCC(CO)(CO)CO"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"OCC(CO)(CO)COCC(CO)(CO)CO"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(CO)(CO)COCC(CO)(CO)CO"
]
}
],
"attested_by": {
"OCC(CO)(CO)COCC(CO)(CO)CO": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(CO)(CO)COCC(CO)(CO)CO"
]
}
],
"attested_by": {
"InChI=1S/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]"
]
},
"attested_by": {
"2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
254.279
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(CO)(CO)COCC(CO)(CO)CO)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(CO)(CO)COCC(CO)(CO)CO"
]
}
],
"attested_by": {
"254.279": [
"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": [
254.136553
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(CO)(CO)COCC(CO)(CO)CO)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OCC(CO)(CO)COCC(CO)(CO)CO"
]
}
],
"attested_by": {
"254.136553": [
"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=J103.299B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:31352;CAS:126-58-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-58-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.004.359",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:31352;CAS:126-58-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-58-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=126-58-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"126-58-9"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3027039",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:31352;CAS:126-58-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-58-9]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65881",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:31352;CAS:126-58-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-58-9]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Dipentaerythritol",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:31352;CAS:126-58-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-58-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6699UJQ478",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:31352;CAS:126-58-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-58-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/31352",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:31352;CAS:126-58-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[126-58-9]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185131",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:31352;CAS:126-58-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-58-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27263983",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:31352;CAS:126-58-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-58-9]"
}
}
],
"prefLabel": [
{
"@value": "2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]",
"@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": "a67d1bd7-f799-45a8-a4ee-e55afaefe52a",
"identifier": "a67d1bd7-f799-45a8-a4ee-e55afaefe52a",
"source": "EF 3.1",
"cas_numbers": [
"126-58-9"
],
"ec_numbers": [
"204-794-1"
],
"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": 3.571e-11
},
{
"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": 1.2631e-11
},
{
"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": 1.2631e-11
},
{
"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": 3.571e-11
}
],
"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-ac3758087d88be47",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/a67d1bd7-f799-45a8-a4ee-e55afaefe52a",
"skos:prefLabel": "2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]",
"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/a67d1bd7-f799-45a8-a4ee-e55afaefe52a"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/a67d1bd7-f799-45a8-a4ee-e55afaefe52a"
},
"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": {
"126-58-9": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]",
"synonyms": [
"organic",
"2,2,2'",
",2'",
"-tetrakis(hydroxymethyl)-3,3'",
"-oxydipropan-1-ol",
"d-pe300",
"dipentaerythritol"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to sea water"
],
"cas_numbers": [
"126-58-9"
],
"ec_numbers": [
"204-794-1"
],
"unit": "kg"
}
}