Octadecane
fo-7e006abc9851918a
Identity
- Type
- Neutral molecule
- CAS
- 593-45-3
- EC
- 209-790-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
6- C18-n-Alkane
- Cactus Normal Paraffin TS 8
- CH3-[CH2]16-CH3
- n-octadecane
- Oktadekan
- TS Paraffin TS 8
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RZJRJXONCZWCBN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Octadecane |
| Molecular formula chemrof:molecular_formula | C18H38 |
| Molecular mass chemrof:molecular_mass | 254.502 |
| Monoisotopic mass chemrof:monoisotopic_mass | 254.29735, 254.297351 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCCCCCCCC |
Known URLs
18Where 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=593-45-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32926 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.008.902 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9047172 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4201 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:263389 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N102P6HAIU | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033721 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.695F | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00030879 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA11000581 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5276 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11635 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1325 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9842728 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1740138 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q150900 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Octadecane | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f0699061-4a96-43e9-9755-4771c89f8b79 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 594cc3a8-86c9-4fb9-9d99-6ead25035088 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| c8019fcb-1dc0-441f-98bb-2c8d72d24b7a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 3930d318-ca15-49a9-b251-29c2b90e8b96 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5936ede7-93c2-4ee4-8fa3-2167e61e4040 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 3976f601-6e90-43a0-9688-3cf190656ff6 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 479f993e-817f-46a8-b3fd-d484001be744 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| c54931a3-cdd9-4840-ac65-9210e6a7545f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| ef7edcee-8c16-4894-93e4-672a63f0c5ec | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f1b14674-3060-4fc3-9264-3c21dc9f2929 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 60d81fda-eb96-4042-8f53-7597b4b5ade8 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| fce1b764-327a-4112-b3f8-31ac4d113067 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 10ef3f0d-53bc-4e02-90f0-3f372556da51 | 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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"seed_uuid": "10ef3f0d-53bc-4e02-90f0-3f372556da51",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"593-45-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=593-45-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=593-45-3"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"209-790-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=209-790-3"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"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 straight-chain alkane carrying 18 carbon atoms.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_32926"
],
"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