Acetophenone
fo-e2cf691cf2594e7e
Identity
- Type
- Neutral molecule
- CAS
- 98-86-2
- EC
- 202-708-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
13- 1-Feniletanone
- 1-Phenyl-1-ethanone
- 1-phenylethan-1-one
- 1-Phenylethanone
- Acetophenon
- Acetylbenzene
- benzoyl methide
- Benzoylmethane
- Ethanone, 1-phenyl-
- Hypnon
- Hypnone
- Methyl phenyl ketone
- Phenyl methyl ketone
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
| IUPAC name chemrof:IUPAC_name | Acetophenone |
| Molecular formula chemrof:molecular_formula | C8H8O |
| Molecular mass chemrof:molecular_mass | 120.151 |
| Monoisotopic mass chemrof:monoisotopic_mass | 120.05751, 120.057515 |
| SMILES string chemrof:smiles_string | CC(=O)c1ccccc1 |
Known URLs
27Where 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=98-86-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27632 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.462 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1156 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6021828 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB04619 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04619 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7635 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL274467 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/acetophenone | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RK493WHV10 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033910 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.225E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07113 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07113 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00002685 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46273 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77447 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL274467 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7410 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1993 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017929 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10397882 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24634568 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0117 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q375112 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Acetophenone | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fba0f9-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9bed-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e4d82fdb-5c7a-4305-96a2-bd86b1f75406 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9bec-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9bee-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9beb-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9be9-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9a6a-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9bea-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9bf0-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9a6b-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9bef-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| ad65f61acce5715965ac1bda197345187dbf572c | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9a69-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 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