Icosane
fo-f1a2ecda66bc6f8f
Identity
- Type
- Neutral molecule
- CAS
- 112-95-8
- EC
- 204-018-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
5- CH3-[CH2]18-CH3
- EICOSANE
- n-eicosane
- octyldodecane
- Parafol 20Z
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CBFCDTFDPHXCNY-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Icosane |
| Molecular formula chemrof:molecular_formula | C20H42 |
| Molecular mass chemrof:molecular_mass | 282.556 |
| Monoisotopic mass chemrof:monoisotopic_mass | 282.32865, 282.328651 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCCCCCCCCCC |
Known URLs
20Where 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 |
|---|---|---|
| beilstein | beilstein:1700722 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=112-95-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:43619 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.653 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1025227 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62789 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3AYA9KEC48 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0059909 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.999B | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA11000571 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5266 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:LFA | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8222 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23459067 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23880873 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23899195 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1700722 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q150925 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Eicosane | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Icosane | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2d5b4977-0ffe-48cd-8428-990c5ee76836 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 713766c2-1b18-44d3-b055-f0a20e271360 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 489e57eb-55fc-4222-8abc-c3a42defd3ad | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| ce135596-fb49-47ac-b035-98d1a6b37acd | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b100c26e-97af-427d-8f32-9b880b530ed4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| e5ecc801-a4b6-4061-b595-b86cf4c0a1ab | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5d81b702-3b3a-4f16-883b-b2e5cfc2d3e1 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| dfc24d64-1689-40c8-8d27-a851b54ad626 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 1b62c0e7-033a-4d46-8054-31594eda3702 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d0fc13f6-eba9-4bc1-8ae7-593cdfc1243c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3c9befe8-48ee-45aa-bc9f-8b84c3623680 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 05782dca-46ea-4505-997a-39f251c47d4c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 5dda000d-4ddf-49ec-ad5c-256535a59905 | 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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"created_from": {
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],
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"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A straight chain alkane composed of 20 carbon atoms. It has been isolated from the leaves of Agave attenuata.",
"@language": "en",
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"@type": [
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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