6-pentyltetrahydro-2h-pyran-2-one
fo-0075508ccc2f16c6
Identity
- Type
- Neutral molecule
- CAS
- 705-86-2
- EC
- 211-889-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
23- (RS)-δ-Decalactone
- (±)-5-Hydroxydecanoic acid lactone
- (±)-δ-Decalactone
- (±)-δ-Decanolactone
- 2H-Pyran-2-one, tetrahydro-6-pentyl-
- 5-decanolide
- 5-hydroxydecanoic acid delta-lactone
- 5-Hydroxydecanoic acid δ-lactone
- 5-Pentyl-5-pentanolide
- 6-pentyloxan-2-one
- 6-pentylvalerolactone
- Capric acid, δ-hydroxy-, lactone
- Decanoic acid, 5-hydroxy-, δ-lactone
- delta-amylvalerolactone
- delta-decalactone
- Dihydrojasmin lactone
- Tetrahydro-6-pentyl-2H-pyran-2-one
- δ-Amyl-δ-valerolactone
- δ-Amylvalerolactone
- δ-Decalactone
- δ-Decane lactone
- δ-Decanolactone
- δ-Pentyl-δ-valerolactone
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | GHBSPIPJMLAMEP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 6-pentyltetrahydro-2h-pyran-2-one |
| Molecular formula chemrof:molecular_formula | C10H18O2 |
| Molecular mass chemrof:molecular_mass | 170.252 |
| Monoisotopic mass chemrof:monoisotopic_mass | 170.13068 |
| SMILES string chemrof:smiles_string | CCCCCC1CCCC(=O)O1 |
Known URLs
14Where 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=705-86-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87327 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.010.810 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0044496 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182189 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/delta-decalactone | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CNA0S5T234 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0037116 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.391D | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA07040028 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4362 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12810 | enrich_references.pubchem_compound |
| reaxys | reaxys:4662460 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27159530 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d3b81fe2-01aa-4264-804e-17d972703669 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| c9fe179b-842a-4d2d-be97-3bd148dc17ea | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| ff943923-29b7-4a11-b806-25ef9093bf1f | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 3d72ae1b-5276-4c39-9213-68348f41152d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 832ab829-c62f-42ab-bea5-71adce325cec | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| aa353325-04e3-4d9f-8f20-d4aab34e9e85 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| a261b135-065d-4123-a0a2-fb8b22618728 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 17d3713d-4c24-4ca5-9781-f4b84da26965 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 26ac3b81-d3fa-4807-a134-e840293e5f7c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 25977c86-ea19-44ba-a68e-2e2a61e3d1bf | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5bfa1b81-450c-4c98-afed-930d8367d360 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 350d486b-954a-4340-a2ef-9c48d071d20a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| ab9fa80b-775e-44ac-9cce-3428bab6997f | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 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