Docosan-1-ol
fo-4cb836698412993a
Identity
- Type
- Neutral molecule
- CAS
- 661-19-8
- EC
- 211-546-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
24- 1-docosanol
- 1-Docosonol
- Abreva
- behenic alcohol
- Behenyl 80 Alcohol
- Behenyl alc. 80
- behenyl alcohol
- Behenyl alcohol 65
- docosanol
- docosyl alcohol
- Ginol 22
- Hainol 22S
- Kalkol 220-80
- Lanette 22
- Lanette 22NF
- n-docosanol
- Nacol 22-97
- Nacol 22-98
- Nacol C 22
- Nikkol Behenyl Alcohol 65
- Nikkol Behenyl Alcohol 80
- Ranette 22
- Tadenan
- Toho BH 65
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | NOPFSRXAKWQILS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3 |
| IUPAC name chemrof:IUPAC_name | Docosan-1-ol |
| Molecular formula chemrof:molecular_formula | C22H46O |
| Molecular mass chemrof:molecular_mass | 326.609 |
| Monoisotopic mass chemrof:monoisotopic_mass | 326.354866, 326.35487 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCCCCCCCCCCCCO |
Known URLs
47Where 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=30303-65-2 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=661-19-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31000 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.010.498 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4027286 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00632 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00632 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:940 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/940 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759235 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8407 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1200453 | enrich_references.pubchem_identifier_url |
| foodb.food | foodb.food:FDB007105 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9G1OE216XY | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0014770 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.689F | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D03884 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00030805 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA05000008 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA05000008 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3102 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47498 | enrich_references.pubchem_identifier_url |
| patent | patent:GB2484201 | enrich_references.chebi_xrefs |
| patent | patent:US2011146702 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA164749211 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1200453 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12620 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=042803 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12196766 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12367721 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12383719 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12383720 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17055542 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20210688 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28742922 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31711663 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32353392 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35018617 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35106853 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35262481 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35582396 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/36483200 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/36657569 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1770470 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/594680 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q3033497 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/1-Docosanol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| eed4bb26-cdd5-4c5a-a517-2c6be5030d13 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b736ddc3-fcf6-432a-8dca-6d3fc24eb131 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 36d1044d-e9ba-4bc1-81ca-af26f74ad006 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| b4ac98f1-dc7f-4d02-b5b6-f33a737a24b1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 70ff9e8f-7a89-4aab-854f-dc1d143e6f80 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9cc75cd1-f294-4612-a8f5-494071ce24a8 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 8420c21f-570e-4489-a26b-08354ae36c02 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| d1f0dc02-0d9c-4a12-aef0-d65ebdd71795 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| b1048105-2d24-4bf4-ab76-15466d9bcbca | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 817c3012-35e0-48ad-aa5b-d0425062c653 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 29a9d749-9ae0-4580-bb85-2c3e8fb56109 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 3db5fd85-0ae9-4328-8ce0-f01c67a21d8b | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 0533e046-bd94-4e3c-8d99-0e9d08845e05 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-4cb836698412993a",
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{
"@value": "Docosan-1-ol",
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{
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{
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{
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},
{
"@value": "Ginol 22",
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{
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},
{
"@value": "Kalkol 220-80",
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{
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},
{
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},
{
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},
{
"@value": "Nacol 22-97",
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{
"@value": "Nacol 22-98",
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{
"@value": "Nacol C 22",
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{
"@value": "Nikkol Behenyl Alcohol 65",
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},
{
"@value": "Nikkol Behenyl Alcohol 80",
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},
{
"@value": "Ranette 22",
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},
{
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},
{
"@value": "Toho BH 65",
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"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"211-546-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=211-546-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It is a non-prescription medicine approved by the FDA to shorten healing time of cold sores.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_31000"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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