Decanal
fo-315942bbbc187c61
Identity
- Type
- Neutral molecule
- CAS
- 112-31-2
- EC
- 203-957-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
13- 1-Decanal
- 1-decyl aldehyde
- capraldehyde
- Capric aldehyde
- caprinaldehyde
- Caprinic aldehyde
- Decaldehyde
- decanaldehyde
- Decyl aldehyde
- Decylic aldehyde
- n-decaldehyde
- n-decanal
- n-decyl aldehyde
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KSMVZQYAVGTKIV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 |
| IUPAC name chemrof:IUPAC_name | Decanal |
| Molecular formula chemrof:molecular_formula | C10H20O |
| Molecular mass chemrof:molecular_mass | 156.269 |
| Monoisotopic mass chemrof:monoisotopic_mass | 156.151415, 156.15142 |
| SMILES string chemrof:smiles_string | CCCCCCCCCC=O |
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=112-31-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31457 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.598 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4021553 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6087 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2228377 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/decanal | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:218612 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/31Z90Q7KQJ | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0011623 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.888F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C12307 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C12307 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00030099 | enrich_references.chebi_xrefs |
| knapsack | knapsack:C00030804 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA06000052 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA06000052 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3450 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-8490 | enrich_references.chebi_xrefs |
| patent | patent:JP2002146386 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8175 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23513747 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24444903 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24491729 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1362530 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q903525 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Decanal | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 587aebb7-1bd9-4652-b455-ecbc540bc582 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 15479e5a-6dcf-4949-9360-0d30e02b0f5b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| cac3c2ca-0d36-4862-af61-17ea61b8dd9f | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 54c647bf-9e96-4bd8-8a1c-9d96104b9915 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| dbd45436-5c28-4efb-892b-efa166f65a85 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 133dfbf9-f2a2-472b-9d84-89317745dee5 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| b827fcac-dbc5-4aed-b420-150955525ff6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 44e9df52-f3b3-4b46-aa51-93b3cc72e45e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 95c36757-3ebd-4c16-967e-b100572fc6ab | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| e99786f6-524a-4bcb-97c4-3d6fefc563e7 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| cdf922ec-367e-4380-b89e-de6b94ce8689 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 97e6ab3e-876a-440e-b35c-8f8204e37045 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 2de268f1-217f-4cb9-aea3-f87bd430267a | 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