Sodium 2,4-dihyroxy-3,3-dimethylbutanoate
beac3fb6-1795-42b6-ae6f-7e9718c59d29
Identity
- Substance
- fo-de3f283ff62b3e26 Chemical salt
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Unknown
- CAS
- 1902-01-8
- EC
- 606-203-6
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Unknown
Alternative labels
7- (±)-Pantoic acid sodium salt
- DL-Pantoic acid sodium salt
- Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt
- Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt, (±)-
- Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, sodium salt (1:1)
- Butyric acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt, DL-
- Butyric acid, α,γ-dihydroxy-β,β-dimethyl-, sodium salt
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | beac3fb6-1795-42b6-ae6f-7e9718c59d29 | sodium 2,4-dihyroxy-3,3-dimethylbutanoate | 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 | beac3fb6-1795-42b6-ae6f-7e9718c59d29 | sodium 2,4-dihyroxy-3,3-dimethylbutanoate | Emissions/Emissions to air/Emissions to air, 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 | — | 5.2527 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 5.2527 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 5.2527 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 5.2527 | 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": "(±)-Pantoic acid sodium salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1902-01-8",
"https://commonchemistry.cas.org/detail?cas_rn=1902-01-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DL-Pantoic acid sodium salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1902-01-8",
"https://commonchemistry.cas.org/detail?cas_rn=1902-01-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1902-01-8",
"https://commonchemistry.cas.org/detail?cas_rn=1902-01-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt, (±)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1902-01-8",
"https://commonchemistry.cas.org/detail?cas_rn=1902-01-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, sodium salt (1:1)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1902-01-8",
"https://commonchemistry.cas.org/detail?cas_rn=1902-01-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butyric acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt, DL-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1902-01-8",
"https://commonchemistry.cas.org/detail?cas_rn=1902-01-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butyric acid, α,γ-dihydroxy-β,β-dimethyl-, sodium salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1902-01-8",
"https://commonchemistry.cas.org/detail?cas_rn=1902-01-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H11NaO4"
],
"attested_by": {
"C6H11NaO4": [
"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:23712041"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(CO)C(O)C(=O)[O-].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XTIMSSMEPPKSQD-UHFFFAOYSA-M"
],
"attested_by": {
"XTIMSSMEPPKSQD-UHFFFAOYSA-M": [
"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:23712041"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(CO)C(O)C(=O)[O-].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)(CO)C(O)C(=O)[O-].[Na+]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(±)-Pantoic acid sodium salt"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(CO)C(O)C(=O)[O-].[Na+]"
]
}
],
"attested_by": {
"CC(C)(CO)C(O)C(=O)[O-].[Na+]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H12O4.Na/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(±)-Pantoic acid sodium salt"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(CO)C(O)C(=O)[O-].[Na+]"
]
}
],
"attested_by": {
"InChI=1S/C6H12O4.Na/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"(±)-Pantoic acid sodium salt"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(±)-Pantoic acid sodium salt"
]
},
"attested_by": {
"(±)-Pantoic acid sodium salt": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
170.14
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(CO)C(C(=O)[O-])O.[Na+]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(CO)C(O)C(=O)[O-].[Na+]"
]
}
],
"attested_by": {
"170.14": [
"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": [
170.055503
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(CO)C(C(=O)[O-])O.[Na+]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(CO)C(O)C(=O)[O-].[Na+]"
]
}
],
"attested_by": {
"170.055503": [
"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=J23.324B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712041;CAS:1902-01-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1902-01-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.124.065",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712041;CAS:1902-01-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1902-01-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1902-01-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1902-01-8"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID301334996",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712041;CAS:1902-01-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1902-01-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23712041",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712041;CAS:1902-01-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[1902-01-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017666",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712041;CAS:1902-01-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1902-01-8]"
}
}
],
"prefLabel": [
{
"@value": "Sodium 2,4-dihyroxy-3,3-dimethylbutanoate",
"@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/ChemicalSalt"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "beac3fb6-1795-42b6-ae6f-7e9718c59d29",
"identifier": "beac3fb6-1795-42b6-ae6f-7e9718c59d29",
"source": "EF 3.1",
"cas_numbers": [
"1902-01-8"
],
"ec_numbers": [
"606-203-6"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "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": 5.2527
},
{
"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": 5.2527
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-de3f283ff62b3e26",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/beac3fb6-1795-42b6-ae6f-7e9718c59d29",
"skos:prefLabel": "sodium 2,4-dihyroxy-3,3-dimethylbutanoate",
"context": "Emissions/Emissions to air/Emissions to air, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/beac3fb6-1795-42b6-ae6f-7e9718c59d29"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/beac3fb6-1795-42b6-ae6f-7e9718c59d29"
},
"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": {
"1902-01-8": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "sodium 2,4-dihyroxy-3,3-dimethylbutanoate",
"synonyms": [
"organic",
"butanoicacid,2,4-dihydroxy-3,3-dimethyl-,monosodiumsalt"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified"
],
"cas_numbers": [
"1902-01-8"
],
"ec_numbers": [
"606-203-6"
],
"unit": "kg"
}
}