Acetic Acid
fo-f5b6a94cd56c64fb
Identity
- Type
- Neutral molecule
- CAS
- 64-19-7
- EC
- 200-580-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
25- Acetic acid HAC
- Acetic acids
- Aci-Jel
- acide acetique
- AcOH
- Cedrosa
- CH3-COOH
- CH3CO2H
- E260
- Engage Agro
- Essigsaeure
- Ethanoic acid
- Ethanoic acid monomer
- ethoic acid
- Ethylic acid
- Glacial acetic acid
- HOAc
- INS No. 260
- MeCO2H
- MeCOOH
- MeSH ID: D019342
- Methanecarboxylic acid
- Munger Horticultural Vinegar Plus
- Vinegar acid
- Weed Pharm
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | QTBSBXVTEAMEQO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) |
| IUPAC name chemrof:IUPAC_name | Acetic Acid |
| Molecular formula chemrof:molecular_formula | C2H4O2 |
| Molecular mass chemrof:molecular_mass | 60.052 |
| Monoisotopic mass chemrof:monoisotopic_mass | 60.021129, 60.02113 |
| SMILES string chemrof:smiles_string | CC(=O)O |
Known URLs
51Where 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=64-19-7 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=6993-75-5 | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/AF12B128.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15366 | enrich_references.chebi_id_link |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0363 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5024394 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03166 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:4211 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/4211 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=132953 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406306 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL539 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/acetic-acid | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1380 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q40Q9N063P | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000042 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2915.21.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.355H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00033 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00010 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00033 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00010 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00001176 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA01010002 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA01010002 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=24 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=ACET | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61623 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:ACT | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:ACY | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA448021 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL539 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1333 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/176 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2789 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2790 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=576241 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12005138 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15107950 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16630552 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16774200 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17190852 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19416101 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19469536 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22153255 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22173419 | enrich_references.chebi_xrefs |
| reaxys | reaxys:506007 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/168 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q47512 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Acetic_acid | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Orthoacetic_acid | enrich_references.pubchem_identifier_url |
Elementary flows
16| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d86c88f0-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 5 |
| 08a91e70-3ddc-11dd-92c5-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 5 |
| 51d4bc09-9449-42d9-b8c5-4edb7502b619 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-92c4-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| 08a91e70-3ddc-11dd-92c6-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 5 |
| 08a91e70-3ddc-11dd-92c3-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 5 |
| 08a91e70-3ddc-11dd-92c1-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-951c-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8f7ba7a71e36723f0cecb92660a5a0c3a09bc3f0 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-92c2-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-92c8-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-951d-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| c573d86daea7621c574bab2cbdb42d51c17af434 | Environmental → Water → River | bafu algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-92c7-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| cfdfab1fd8a333fb76dd003728297174026afe58 | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-951b-0050c2490048 | 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-f5b6a94cd56c64fb",
"prefLabel": [
{
"@value": "Acetic Acid",
"@language": "en",
"@lang": "en",
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}
}
],
"altLabel": [
{
"@value": "Acetic acid HAC",
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"CAS:64-19-7",
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],
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}
},
{
"@value": "Acetic acids",
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},
{
"@value": "Aci-Jel",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "acide acetique",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "AcOH",
"@language": "en",
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"provenance": {
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Cedrosa",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
"CAS:64-19-7",
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],
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}
},
{
"@value": "CH3-COOH",
"@language": "en",
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},
{
"@value": "CH3CO2H",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "E260",
"@language": "en",
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],
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}
},
{
"@value": "Engage Agro",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Essigsaeure",
"@language": "en",
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"provenance": {
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}
},
{
"@value": "Ethanoic acid",
"@language": "en",
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"provenance": {
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],
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}
},
{
"@value": "Ethanoic acid monomer",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ethoic acid",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Ethylic acid",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Glacial acetic acid",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "HOAc",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "INS No. 260",
"@language": "en",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "MeCO2H",
"@language": "en",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "MeCOOH",
"@language": "en",
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}
},
{
"@value": "MeSH ID: D019342",
"@language": "en",
"@lang": "en",
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"prov:hadPrimarySource": [
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=64-19-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methanecarboxylic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_15366"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Munger Horticultural Vinegar Plus",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=64-19-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Vinegar acid",
"@language": "en",
"@lang": "en",
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"prov:hadPrimarySource": [
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"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Weed Pharm",
"@language": "en",
"@lang": "en",
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
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}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C2H4O2"
],
"attested_by": {
"C2H4O2": [
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"rdkit_post_consensus"
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},
"rdfs:label": "Molecular formula",
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},
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},
"https://w3id.org/chemrof/smiles_string": {
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"rdfs:label": "SMILES",
"@value": [
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],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
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"Acetic Acid"
]
},
{
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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": [
"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)"
],
"provenance": [
{
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},
{
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}
],
"attested_by": {
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}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
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},
"classifications": {
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],
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"parent_flow_object_id": null,
"parent_intervention_id": null,
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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