2,2-bis(hydroxymethyl)butanoic Acid
7c2e6d78-3363-4cfb-8a8e-b1c939918f22
Identity
- Substance
- fo-8ca3d44942c1fd1d NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)
- CAS
- 10097-02-6
- EC
- 424-090-1
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Rural (<1000 people/square mile)
- Strata
- Medium stack, <150 meters
Alternative labels
12- 2,2-Bis(hydroxymethyl)butyric acid
- 2,2-Bis(methylol)butanoic acid
- 2,2-Dimethylolbutanoic acid
- 2,2-Dimethylolbutyric acid
- Bis(hydroxymethyl)butanoic acid
- Butanoic acid, 2,2-bis(hydroxymethyl)-
- Butyric acid, 2,2-bis(hydroxymethyl)-
- DMBA
- Dimethylolbutanoic acid
- Dimethylolbutyric acid
- Nikkamer BA
- α,α-Dimethylolbutanoic acid
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 7c2e6d78-3363-4cfb-8a8e-b1c939918f22 | 2,2-bis(hydroxymethyl)butanoic acid | 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 | 7c2e6d78-3363-4cfb-8a8e-b1c939918f22 | 2,2-bis(hydroxymethyl)butanoic acid | Emissions/Emissions to air/Emissions to non-urban air or from high stacks | 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 | — | 43.187 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 43.187 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 43.187 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 43.187 | 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": "2,2-Bis(hydroxymethyl)butyric acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Bis(methylol)butanoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethylolbutanoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethylolbutyric acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(hydroxymethyl)butanoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butanoic acid, 2,2-bis(hydroxymethyl)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butyric acid, 2,2-bis(hydroxymethyl)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DMBA",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethylolbutanoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethylolbutyric acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nikkamer BA",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α,α-Dimethylolbutanoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10097-02-6",
"https://commonchemistry.cas.org/detail?cas_rn=10097-02-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H12O4"
],
"attested_by": {
"C6H12O4": [
"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:3301396"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CO)(CO)C(=O)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"JVYDLYGCSIHCMR-UHFFFAOYSA-N"
],
"attested_by": {
"JVYDLYGCSIHCMR-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:3301396"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CO)(CO)C(=O)O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCC(CO)(CO)C(=O)O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2-bis(hydroxymethyl)butanoic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CO)(CO)C(=O)O"
]
}
],
"attested_by": {
"CCC(CO)(CO)C(=O)O": [
"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/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2-bis(hydroxymethyl)butanoic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CO)(CO)C(=O)O"
]
}
],
"attested_by": {
"InChI=1S/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)": [
"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-bis(hydroxymethyl)butanoic Acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2-bis(hydroxymethyl)butanoic Acid"
]
},
"attested_by": {
"2,2-bis(hydroxymethyl)butanoic Acid": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
148.158
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CO)(CO)C(=O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CO)(CO)C(=O)O"
]
}
],
"attested_by": {
"148.158": [
"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": [
148.073559
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CO)(CO)C(=O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(CO)(CO)C(=O)O"
]
}
],
"attested_by": {
"148.073559": [
"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=J1.110.279D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3301396;CAS:10097-02-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10097-02-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.102.262",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3301396;CAS:10097-02-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10097-02-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.129.385",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3301396;CAS:10097-02-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10097-02-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=10097-02-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3301396;CAS:10097-02-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10097-02-6]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID8064939",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3301396;CAS:10097-02-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10097-02-6]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/42UJ0Z625V",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3301396;CAS:10097-02-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10097-02-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3301396",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3301396;CAS:10097-02-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[10097-02-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27258575",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3301396;CAS:10097-02-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10097-02-6]"
}
}
],
"prefLabel": [
{
"@value": "2,2-bis(hydroxymethyl)butanoic Acid",
"@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": "7c2e6d78-3363-4cfb-8a8e-b1c939918f22",
"identifier": "7c2e6d78-3363-4cfb-8a8e-b1c939918f22",
"source": "EF 3.1",
"cas_numbers": [
"10097-02-6"
],
"ec_numbers": [
"424-090-1"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Medium stack, <150 meters",
"population_density": "Rural (<1000 people/square mile)"
},
"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": 43.187
},
{
"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": 43.187
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-8ca3d44942c1fd1d",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/7c2e6d78-3363-4cfb-8a8e-b1c939918f22",
"skos:prefLabel": "2,2-bis(hydroxymethyl)butanoic acid",
"context": "Emissions/Emissions to air/Emissions to non-urban air or from high stacks",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/7c2e6d78-3363-4cfb-8a8e-b1c939918f22"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/7c2e6d78-3363-4cfb-8a8e-b1c939918f22"
},
"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": {
"10097-02-6": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "2,2-bis(hydroxymethyl)butanoic acid",
"synonyms": [
"organic",
"2,2-bis(hydroxymethyl)butanoicacid"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to non-urban air or from high stacks"
],
"cas_numbers": [
"10097-02-6"
],
"ec_numbers": [
"424-090-1"
],
"unit": "kg"
}
}