3-(2-(2-hydroxyethoxy)ethylimino)-2,2-dimethylpropyl Dodecanoate/n
051b5c0e-b39e-4530-a801-0c898b4b303a
Identity
- Substance
- fo-71842226a4761fd1 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Non-agricultural
- CAS
- 931419-77-1
- EC
- 700-067-2
Context
- Dimension
- Environmental
- Geography
- Non-agricultural
- Media
- Ground
Alternative labels
2- 3-[[2-(2-Hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl dodecanoate
- Dodecanoic acid, 3-[[2-(2-hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl ester
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 051b5c0e-b39e-4530-a801-0c898b4b303a | 3-(2-(2-hydroxyethoxy)ethylimino)-2,2-dimethylpropyl dodecanoate/n | 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 | 051b5c0e-b39e-4530-a801-0c898b4b303a | 3-(2-(2-hydroxyethoxy)ethylimino)-2,2-dimethylpropyl dodecanoate/n | Emissions/Emissions to soil/Emissions to non-agricultural soil | 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 | — | 303.86 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 303.86 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 303.86 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 303.86 | 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": "3-[[2-(2-Hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl dodecanoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:931419-77-1",
"https://commonchemistry.cas.org/detail?cas_rn=931419-77-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dodecanoic acid, 3-[[2-(2-hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:931419-77-1",
"https://commonchemistry.cas.org/detail?cas_rn=931419-77-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C21H41NO4"
],
"attested_by": {
"C21H41NO4": [
"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:89999478"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"OIOXSPCSRJPJNN-UHFFFAOYSA-N"
],
"attested_by": {
"OIOXSPCSRJPJNN-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:89999478"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-[[2-(2-Hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl dodecanoate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO"
]
}
],
"attested_by": {
"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C21H41NO4/c1-4-5-6-7-8-9-10-11-12-13-20(24)26-19-21(2,3)18-22-14-16-25-17-15-23/h18,23H,4-17,19H2,1-3H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-[[2-(2-Hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl dodecanoate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO"
]
}
],
"attested_by": {
"InChI=1S/C21H41NO4/c1-4-5-6-7-8-9-10-11-12-13-20(24)26-19-21(2,3)18-22-14-16-25-17-15-23/h18,23H,4-17,19H2,1-3H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"3-[[2-(2-Hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl dodecanoate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-[[2-(2-Hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl dodecanoate"
]
},
"attested_by": {
"3-[[2-(2-Hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl dodecanoate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
371.562
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO"
]
}
],
"attested_by": {
"371.562": [
"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": [
371.303559
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO"
]
}
],
"attested_by": {
"371.303559": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.148.903",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:89999478;CAS:931419-77-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[931419-77-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=931419-77-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:89999478;CAS:931419-77-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[931419-77-1]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID60893793",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:89999478;CAS:931419-77-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[931419-77-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/89999478",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:89999478;CAS:931419-77-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[931419-77-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81987763",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:89999478;CAS:931419-77-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[931419-77-1]"
}
}
],
"prefLabel": [
{
"@value": "3-(2-(2-hydroxyethoxy)ethylimino)-2,2-dimethylpropyl Dodecanoate/n",
"@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": "051b5c0e-b39e-4530-a801-0c898b4b303a",
"identifier": "051b5c0e-b39e-4530-a801-0c898b4b303a",
"source": "EF 3.1",
"cas_numbers": [
"931419-77-1"
],
"ec_numbers": [
"700-067-2"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Non-agricultural"
},
"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": 303.86
},
{
"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": 303.86
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-noag",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-71842226a4761fd1",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/051b5c0e-b39e-4530-a801-0c898b4b303a",
"skos:prefLabel": "3-(2-(2-hydroxyethoxy)ethylimino)-2,2-dimethylpropyl dodecanoate/n",
"context": "Emissions/Emissions to soil/Emissions to non-agricultural soil",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/051b5c0e-b39e-4530-a801-0c898b4b303a"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/051b5c0e-b39e-4530-a801-0c898b4b303a"
},
"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": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "consensus_match",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"931419-77-1": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "3-(2-(2-hydroxyethoxy)ethylimino)-2,2-dimethylpropyl dodecanoate/n",
"synonyms": [
"organic",
"aldimine2",
"sikahardenerlg",
"sikahã?rterlg"
],
"context": [
"Emissions",
"Emissions to soil",
"Emissions to non-agricultural soil"
],
"cas_numbers": [
"931419-77-1"
],
"ec_numbers": [
"700-067-2"
],
"unit": "kg"
}
}