4'-hydroxyacetophenone
fo-15e6a8aa47ba10b5
Identity
- Type
- Neutral molecule
- CAS
- 99-93-4
- EC
- 202-802-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
23- (4-Hydroxyphenyl)ethan-1-one
- 1-(4-Hydroxyphenyl)-1-ethanone
- 1-(4-hydroxyphenyl)ethanone
- 4-Acetophenol
- 4-Acetylphenol
- 4-Hydroxyacetopenone
- 4-Hydroxyacetophenone
- 4-Hydroxyphenyl methyl ketone
- 4-Hydroxyphenylethanone
- 4′-Hydroxyacetophenone
- Acetophenone, 4′-hydroxy-
- Acetophenone, p-hydroxy-
- Ethanone, 1-(4-hydroxyphenyl)-
- Methyl 4-hydroxyphenyl ketone
- Methyl p-hydroxyphenyl ketone
- p-Acetophenol
- p-Acetylphenol
- p-Hydroxyacetophenone
- p-Hydroxyphenyl methyl ketone
- para-Hydroxyacetophenone
- Piceol
- Symsave
- Symsave H
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | TXFPEBPIARQUIG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3 |
| IUPAC name chemrof:IUPAC_name | 4'-hydroxyacetophenone |
| Molecular formula chemrof:molecular_formula | C8H8O2 |
| Molecular mass chemrof:molecular_mass | 136.15 |
| Monoisotopic mass chemrof:monoisotopic_mass | 136.052429, 136.05243 |
| SMILES string chemrof:smiles_string | CC(=O)c1ccc(O)cc1 |
Known URLs
28Where 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=99-93-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28032 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.548 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0029133 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3698 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL201083 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/4-hydroxyacetophenone | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G1L3HT4CMH | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.233.995H | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.976J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C10700 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C10700 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00002698 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51565 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-10598 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:AC6 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7469 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=026793 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21848266 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22484946 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23014895 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23252272 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23738459 | enrich_references.chebi_xrefs |
| reaxys | reaxys:774355 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1541733 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0694 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q7190613 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Piceol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 63faa4d6-99b9-4006-aa45-61cd5f525c7a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 596ad570-a6b1-435d-92e5-1092d054337e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 6430139d-ad53-410e-9173-2acdd631a33f | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| b84aef90-a038-4446-815f-2271b3b44e5d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| da40a7ac-32fc-4511-80a4-e80b0224067c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 9e4822a8-bb91-40e2-a666-b52b36b2e06b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 9f96f888-d9d5-4890-a4b4-813184313c39 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 68c05d8f-d863-400c-a208-562cf6d55b13 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 453c02ce-484b-4da3-b710-10c1f0737c31 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 33773045-d739-4261-9cc6-15432c24b929 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 783bc79c-c00e-4dda-9fd7-d3d984591b54 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f3eefc93-e5b4-4b68-b1e8-58b3d9c4fc6b | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 42ac3b4e-8ac9-4e3b-b228-8f0c2df3ba09 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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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