Butyric Acid
fo-7c54e5b19e044cd4
Identity
- Type
- Neutral molecule
- CAS
- 107-92-6
- EC
- 203-532-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
21- 1-butanoic acid
- 1-butyric acid
- 1-propanecarboxylic acid
- 4:0
- acide butanoique
- acide butyrique
- B 103500
- butanic acid
- Butanoate
- BUTANOIC ACID
- butoic acid
- Buttersaeure
- C4:0
- CH3-[CH2]2-COOH
- ethylacetic acid
- Honey robber
- MeSH ID: D020148
- n-butanoic acid
- n-butyric acid
- propanecarboxylic acid
- propylformic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FERIUCNNQQJTOY-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) |
| IUPAC name chemrof:IUPAC_name | Butyric Acid |
| Molecular formula chemrof:molecular_formula | C4H8O2 |
| Molecular mass chemrof:molecular_mass | 88.106 |
| Monoisotopic mass chemrof:monoisotopic_mass | 88.052429, 88.05243 |
| SMILES string chemrof:smiles_string | CCCC(=O)O |
Known URLs
54Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=107-92-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30772 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.212 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1334 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8021515 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB03568 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03568 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8415 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14227 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/butyric-acid | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:26242 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/40UIR9Q29H | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000039 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.068A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00246 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00246 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00001180 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA01010004 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA01010004 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=26 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=BUTYRIC_ACID | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68327 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:BUA | enrich_references.chebi_xrefs |
| pharos.nih.gov | https://pharos.nih.gov/ligands/BK9YBU47BFRU | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL14227 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/264 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2820 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=096140 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=566382 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10736622 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10956204 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11201044 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11208715 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11238216 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11305323 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12068484 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/13678314 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/14962641 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1542095 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15809727 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15810631 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15938880 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19318247 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19366864 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19703412 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21699495 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22038864 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22194341 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22322557 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22339023 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22466881 | enrich_references.chebi_xrefs |
| reaxys | reaxys:906770 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q193213 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Butyric_acid | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f2148713-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9670-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 1fd3d8d2-275c-46a1-ab59-97e66bcb02db | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-966f-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9671-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-966e-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f2148711-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| f2148714-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| f2148716-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f2148718-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| f2148715-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f2148712-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| f2148717-6555-11dd-ad8b-0800200c9a66 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-7c54e5b19e044cd4",
"prefLabel": [
{
"@value": "Butyric Acid",
"@language": "en",
"@lang": "en",
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],
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}
}
],
"altLabel": [
{
"@value": "1-butanoic acid",
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},
{
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}
},
{
"@value": "1-propanecarboxylic acid",
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},
{
"@value": "4:0",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "acide butanoique",
"@language": "en",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "acide butyrique",
"@language": "en",
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"provenance": {
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "B 103500",
"@language": "en",
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"provenance": {
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"CAS:107-92-6",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "butanic acid",
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],
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}
},
{
"@value": "Butanoate",
"@language": "en",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "BUTANOIC ACID",
"@language": "en",
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"provenance": {
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}
},
{
"@value": "butoic acid",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Buttersaeure",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_30772"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "C4:0",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "CH3-[CH2]2-COOH",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "ethylacetic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_30772"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Honey robber",
"@language": "en",
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}
},
{
"@value": "MeSH ID: D020148",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "n-butanoic acid",
"@language": "en",
"@lang": "en",
"provenance": {
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}
},
{
"@value": "n-butyric acid",
"@language": "en",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "propanecarboxylic acid",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "propylformic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C4H8O2"
],
"attested_by": {
"C4H8O2": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
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},
{
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},
{
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"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCCC(=O)O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCC(=O)O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
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"prov:hadPrimarySource": [
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]
},
{
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],
"attested_by": {
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
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],
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],
"attested_by": {
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}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FERIUCNNQQJTOY-UHFFFAOYSA-N"
],
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"rdfs:label": "InChIKey",
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},
{
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]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
88.106
],
"attested_by": {
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},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
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},
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"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
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}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "08a91e70-3ddc-11dd-966e-0050c2490048",
"seed_source": "EF 3.1",
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"reason": "",
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],
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}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"107-92-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=107-92-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
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}
],
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},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"203-532-3"
],
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],
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],
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}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.",
"@language": "en",
"provenance": {
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],
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],
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]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works