Undecan-1-ol
fo-87bb19caaa8caff0
Identity
- Type
- Neutral molecule
- CAS
- 112-42-5
- EC
- 203-970-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
16- 1-hendecanol
- 1-hydroxyundecane
- 1-undecanol
- 1-undecyl alcohol
- Alchem 11
- Exxal 11S
- hendecanoic alcohol
- hendecyl alcohol
- Linevol 11
- n-hendecylenic alcohol
- n-undecan-1-ol
- n-undecyl alcohol
- Neodol 1
- Tip-Nip
- undecanol
- undecyl alcohol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KJIOQYGWTQBHNH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3 |
| IUPAC name chemrof:IUPAC_name | Undecan-1-ol |
| Molecular formula chemrof:molecular_formula | C11H24O |
| Molecular mass chemrof:molecular_mass | 172.312 |
| Monoisotopic mass chemrof:monoisotopic_mass | 172.182715, 172.18272 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCO |
Known URLs
32Where 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 |
|---|---|---|
| agr | agr:IND607566356 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=112-42-5 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=143819-62-9 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87499 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.609 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.045.524 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1539 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0026915 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=403667 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL444525 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/undecyl-alcohol | enrich_references.pubchem_identifier_url |
| foodb.food | foodb.food:FDB002917 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/06MJ0P28T3 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0013113 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.126H | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00019556 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA05000144 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3234 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-17288 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8184 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3082 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=547755 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22718499 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23719708 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35481694 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/37121139 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/37297429 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/37418905 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6020567 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1698334 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q161686 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Undecanol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1dc67595-1741-4ead-9a80-a451f9109a10 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4323a61f-0f13-47b2-8be4-acb1e9377958 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 7faf9cdc-0dbd-4f99-b859-b49388868ce7 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4b45cb73-360e-43fc-8c4e-6ebff0b640a9 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 36da5705-17ea-4280-ae04-3614573d5775 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 8b9dea5f-fcb3-4958-a1f5-1c8e070e78e4 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 3a4feef9-973b-47e6-a8dc-4f836f66dc87 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| f9e7150c-3b56-40e2-a877-7e3297d4a562 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 0bfc1eb2-04e5-4d43-8371-b54ccc85f1c2 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 3c802124-1efd-4b6b-9d08-e0e789a71bf1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 6d073376-8cad-4f17-9b83-25fc28641e1e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 0cce728d-40ed-48ff-8fdf-afe11d7527a8 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 1500b8a9-abf4-4c1f-91c4-b3b534cde87f | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
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