2-Acetylnaphthalene
fo-371dfffab6e4aebd
Identity
- Type
- Neutral molecule
- CAS
- 93-08-3
- EC
- 202-216-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
21- 1-(2-Naphthalenyl)ethanone
- 1-(2-Naphthyl)ethan-1-one
- 1-(2-Naphthyl)ethanone
- 1-(Naphthalen-2-yl) ethan-1-one
- 1-(naphthalen-2-yl)ethanone
- 1-(Naphthalen-3-yl)ethanone
- 2'-acetonaphthone
- 2-Acetonaphthalene
- 2-Acetonaphthone
- 2-Naphthyl methyl ketone
- 2′-Acetonaphthone
- beta-acetonaphthalene
- beta-acetonaphthone
- Ethanone, 1-(2-naphthalenyl)-
- Methyl 2-naphthyl ketone
- Methyl beta-naphthyl ketone
- Methyl β-naphthyl ketone
- Oranger crystals
- β-Acetonaphthone
- β-Acetylnaphthalene
- β-Naphthyl methyl ketone
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XSAYZAUNJMRRIR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-Acetylnaphthalene |
| Molecular formula chemrof:molecular_formula | C12H10O |
| Molecular mass chemrof:molecular_mass | 170.211 |
| Monoisotopic mass chemrof:monoisotopic_mass | 170.07316, 170.073165 |
| SMILES string chemrof:smiles_string | CC(=O)c1ccc2ccccc2c1 |
Known URLs
18Where 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 |
|---|---|---|
| beilstein | beilstein:744965 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=93-08-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:52364 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.016 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.014.178 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2041389 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7658 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183700 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/methyl-beta-naphthyl-ketone | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/21D49LOP2T | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0032412 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.840A | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45502 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7122 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22040063 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23284438 | enrich_references.chebi_xrefs |
| reaxys | reaxys:774965 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27123397 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 12c4c8e0-46c6-4910-9c40-f0c5202ca836 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4cd69006-ae67-4327-8319-460122f29499 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 64b12041-cb73-44e5-9523-09740c346935 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f26c7908-5ca3-4af1-9d4b-37670b6e4523 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0b06b8ca-4706-4963-afdb-4ec9142db0f9 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 58e65193-8988-45a4-9ecb-959f3d461e2b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5b98dfff-3da0-4d37-b52f-2d757f9c24b5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 10a84520-46f2-4e2d-8f4d-73bb63bf49e8 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 6bf4762b-0acc-43fd-9d10-b165a2e2e198 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d0fd57de-423f-433a-b806-28a73313f782 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b68763f8-f3f6-4174-a15e-bc873877d19d | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 9bd014b5-7bca-4c3e-b838-fde12ce56325 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| ad9ad123-f203-4db9-afca-64819906b97e | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 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