Propanal
fo-d93efdf0eecb977b
Identity
- Type
- Neutral molecule
- CAS
- 123-38-6
- EC
- 204-623-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
15- 1-Propanal
- Aldehyde propionique
- C2H5CHO
- Ethylcarboxaldehyde
- Methylacetaldehyde
- n-Propanal
- n-Propionaldehyde
- Propaldehyde
- Propanaldehyde
- Propional
- Propionaldehyde
- Propionic aldehyde
- Propyl aldehyde
- Propylaldehyde
- Propylic aldehyde
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | NBBJYMSMWIIQGU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 |
| IUPAC name chemrof:IUPAC_name | Propanal |
| Molecular formula chemrof:molecular_formula | C3H6O |
| Molecular mass chemrof:molecular_mass | 58.08 |
| Monoisotopic mass chemrof:monoisotopic_mass | 58.04186, 58.041865 |
| SMILES string chemrof:smiles_string | CCC=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=123-38-6 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25722-18-3 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17153 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.204 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0550 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2021658 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6493 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL275626 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/propionaldehyde | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AMJ2B4M67V | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0003366 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.497J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00479 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00479 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C22402 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38308 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-665 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:CBG | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/527 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1275 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20097366 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21568340 | enrich_references.chebi_xrefs |
| reaxys | reaxys:506010 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0207 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q422909 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Propanal | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Propionaldehyde | enrich_references.pubchem_identifier_url |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f2159879-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 5 |
| fe0acd60-3ddc-11dd-aae2-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 5 |
| b352ec07-1300-46c5-bcf6-b5ee8466e619 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-aae1-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| fe0acd60-3ddc-11dd-aae3-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 5 |
| fe0acd60-3ddc-11dd-9f05-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 5 |
| 08a91e70-3ddc-11dd-9836-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-aae7-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9837-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-aae5-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-aae8-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| fe94c24d3c3bb561eec30d9ac9b7189bfa090a5a | Environmental → Water → River | bafu algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-aae4-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| f0160d6b0f2ad867bb4603a4348e47eda72f7c72 | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-aae6-0050c2490048 | 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