Hydroxycitronellal
fo-2128cbb83bd0b848
Identity
- Type
- Neutral molecule
- CAS
- 107-75-5
- EC
- 203-518-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
18- (±)-Hydroxycitronellal
- 3,7-dimethyl-7-hydroxyoctan-1-al
- 3,7-Dimethyl-7-hydroxyoctanal
- 7-hydroxy-3,7-dimethyloctanal
- 7-hydroxycitronellal
- Citronellal hydrate
- Citronellal, hydroxy-
- Cyclalia
- Cyclosia
- Cyclosia base
- Fixol
- hydroxy citronellal
- Laurine
- Lilyl aldehyde
- Muguet synthetic
- Muguettine principle
- Octanal, 7-hydroxy-3,7-dimethyl-
- Phixia
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WPFVBOQKRVRMJB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | Hydroxycitronellal |
| Molecular formula chemrof:molecular_formula | C10H20O2 |
| Molecular mass chemrof:molecular_mass | 172.268 |
| Monoisotopic mass chemrof:monoisotopic_mass | 172.14633 |
| SMILES string chemrof:smiles_string | CC(CC=O)CCCC(C)(C)O |
Known URLs
36Where 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=107-75-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53459 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.199 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6042232 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB14187 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=163509 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406740 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186027 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/hydroxycitronellal | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8SQ0VA4YUR | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031739 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2912.49.55.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.859B | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45072 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/HN2AHTZ5PWWD | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL3186027 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7888 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12786728 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/14678209 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17598033 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17936526 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19243479 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20495907 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20795681 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21392029 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2808836 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3264801 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/455972 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/467024 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8681536 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8735869 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8879930 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1721290 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1362893 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q25100775 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Hydroxycitronellal | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 03a65839-6959-43fd-b792-3c9e46c05b22 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 8b67abc9-4457-4a00-a406-ceaa79a58575 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| befde5bb-f4f4-4ad6-a22b-59e830fe40cd | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| c06552fe-e59d-4e72-8d0f-bcafb6f07db8 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b5d9599f-89ed-48f3-b4b2-1057eb689650 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| b49904a9-0f00-47b3-babf-42233306a9b7 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 73c2676b-c273-46df-81a4-4c662aac5f00 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 04fc76ff-3e5f-457d-bff3-803d98e91d93 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| acecd3cf-443a-40c7-9882-ceb549e03239 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 27f6aedb-bbdd-4889-a97c-aaef85dcd7ad | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 095920df-6805-4268-b81a-5748549e02ef | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 7c2b2157-3037-4e71-9403-8f3a4594b0f8 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 46431523-10e1-4751-9dc9-1ef57a7482e2 | 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