Reaction Mass Of [trans-1,1,4,4-tetramethoxy-2-butene + Cis-1,1,4,4-tetramethoxy-2-butene]
aabb9658-50f6-4486-bf5c-f56c7fb17006
Identity
- Substance
- fo-0974c8e785bc5856 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Unknown
- CAS
- 5370-08-1
- EC
- 900-110-7
Context
- Dimension
- Environmental
- Geography
- Unknown
- Media
- Ground
Alternative labels
3- 1,1,4,4-Tetramethoxy-2-butene
- 2-Butene, 1,1,4,4-tetramethoxy-
- Butenedial, bis(dimethyl acetal)
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | aabb9658-50f6-4486-bf5c-f56c7fb17006 | reaction mass of [trans-1,1,4,4-tetramethoxy-2-butene + cis-1,1,4,4-tetramethoxy-2-butene] | 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 | aabb9658-50f6-4486-bf5c-f56c7fb17006 | reaction mass of [trans-1,1,4,4-tetramethoxy-2-butene + cis-1,1,4,4-tetramethoxy-2-butene] | Emissions/Emissions to soil/Emissions to soil, unspecified | 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 | — | 517.69 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 517.69 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 517.69 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 517.69 | 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": "1,1,4,4-Tetramethoxy-2-butene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5370-08-1",
"https://commonchemistry.cas.org/detail?cas_rn=5370-08-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Butene, 1,1,4,4-tetramethoxy-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5370-08-1",
"https://commonchemistry.cas.org/detail?cas_rn=5370-08-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butenedial, bis(dimethyl acetal)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5370-08-1",
"https://commonchemistry.cas.org/detail?cas_rn=5370-08-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H16O4"
],
"attested_by": {
"C8H16O4": [
"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:289558"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(C=CC(OC)OC)OC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZFGVCDSFRAMNMT-UHFFFAOYSA-N"
],
"attested_by": {
"ZFGVCDSFRAMNMT-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:289558"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(C=CC(OC)OC)OC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"COC(C=CC(OC)OC)OC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1,4,4-Tetramethoxy-2-butene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(C=CC(OC)OC)OC"
]
}
],
"attested_by": {
"COC(C=CC(OC)OC)OC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C8H16O4/c1-9-7(10-2)5-6-8(11-3)12-4/h5-8H,1-4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1,4,4-Tetramethoxy-2-butene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(C=CC(OC)OC)OC"
]
}
],
"attested_by": {
"InChI=1S/C8H16O4/c1-9-7(10-2)5-6-8(11-3)12-4/h5-8H,1-4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,1,4,4-Tetramethoxy-2-butene"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1,4,4-Tetramethoxy-2-butene"
]
},
"attested_by": {
"1,1,4,4-Tetramethoxy-2-butene": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
176.212
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(C=CC(OC)OC)OC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(C=CC(OC)OC)OC"
]
}
],
"attested_by": {
"176.212": [
"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": [
176.104859
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(C=CC(OC)OC)OC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(C=CC(OC)OC)OC"
]
}
],
"attested_by": {
"176.104859": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=5370-08-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:289558;CAS:5370-08-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5370-08-1]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID901019407",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:289558;CAS:5370-08-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5370-08-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/289558",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:289558;CAS:5370-08-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[5370-08-1]"
}
}
],
"prefLabel": [
{
"@value": "Reaction Mass Of [trans-1,1,4,4-tetramethoxy-2-butene + Cis-1,1,4,4-tetramethoxy-2-butene]",
"@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": "aabb9658-50f6-4486-bf5c-f56c7fb17006",
"identifier": "aabb9658-50f6-4486-bf5c-f56c7fb17006",
"source": "EF 3.1",
"cas_numbers": [
"5370-08-1"
],
"ec_numbers": [
"900-110-7"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Unknown"
},
"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": 517.69
},
{
"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": 517.69
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-0974c8e785bc5856",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/aabb9658-50f6-4486-bf5c-f56c7fb17006",
"skos:prefLabel": "reaction mass of [trans-1,1,4,4-tetramethoxy-2-butene + cis-1,1,4,4-tetramethoxy-2-butene]",
"context": "Emissions/Emissions to soil/Emissions to soil, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/aabb9658-50f6-4486-bf5c-f56c7fb17006"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/aabb9658-50f6-4486-bf5c-f56c7fb17006"
},
"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": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"5370-08-1": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "reaction mass of [trans-1,1,4,4-tetramethoxy-2-butene + cis-1,1,4,4-tetramethoxy-2-butene]",
"synonyms": [
"organic",
"reactionmassof2-butene,1,1,4,4-tetramethoxy-,(2e)-and2-butene,1,1,4,4-tetramethoxy-,(2z)-othernamesreactionmassofcis-1,1,4,4-tetramethoxy-2-buteneandtrans-1,1,4,4-tetramethoxy-2-butene"
],
"context": [
"Emissions",
"Emissions to soil",
"Emissions to soil, unspecified"
],
"cas_numbers": [
"5370-08-1"
],
"ec_numbers": [
"900-110-7"
],
"unit": "kg"
}
}