6-methylhept-5-en-2-one
fo-0568a93312e45407
Identity
- Type
- Neutral molecule
- CAS
- 110-93-0
- EC
- 203-816-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
14- 2-Methyl-2-hepten-6-one
- 2-Methyl-2-heptene-6-ketone
- 2-Methyl-2-heptene-6-one
- 2-Methyl-6-oxo-2-heptene
- 2-Oxo-6-methylhept-5-ene
- 5-Hepten-2-one, 6-methyl-
- 6-Methyl-5-hepten-2-ketone
- 6-Methyl-5-hepten-2-one
- 6-Methyl-5-heptene-2-one
- 6-Methyl-Δ5-hepten-2-one
- Isoprenylacetone
- Methylheptenone
- Prenylacetone
- Sulcatone
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UHEPJGULSIKKTP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 6-methylhept-5-en-2-one |
| Molecular formula chemrof:molecular_formula | C8H14O |
| Molecular mass chemrof:molecular_mass | 126.199 |
| Monoisotopic mass chemrof:monoisotopic_mass | 126.104465, 126.10447 |
| SMILES string chemrof:smiles_string | CC(=O)CCC=C(C)C |
Known URLs
24Where 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=110-93-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16310 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.470 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.006.356 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5021629 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15294 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66569 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL46340 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/6-methyl-5-hepten-2-one | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/448353S93V | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0035915 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J58.156I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07287 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07287 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00011400 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA12000039 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5445 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/9862 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=540517 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23590828 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24627092 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1741705 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q3209146 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Sulcatone | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e35736c7-0d23-4c73-8dd6-58feaa8ae7b4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 11730716-0b32-4c7e-8a83-3aed08bac471 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| dab1a778-67ff-43be-9cb7-29f2b43a85d1 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 487450b2-8c6b-4e5a-ae94-4bc3b35df006 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 019336bd-eb5b-4add-b0bd-488c10cacdf8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| c662c97f-aaa0-4fb9-957d-666f232f6c71 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5c16fd8c-ff00-4de5-8bf4-106c4a3af5be | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 9a779a8a-02e0-4dab-a8f8-08e33202b7b3 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 374ad129-4369-447c-92b5-304efbf8d7d9 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| e276ad37-b7a4-4371-8098-dca189d089df | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e7e720ce-ce16-438f-8bed-ab49ed2bd6d2 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f5541227-dcbf-47bb-a059-3202668806e4 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 820a3923-1f7a-4e15-90d1-3185cf1beb0c | 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