2-Dodecanone
fo-e4a2c0066b415ea8
Identity
- Type
- Neutral molecule
- CAS
- 6175-49-1
- EC
- 228-222-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
7- 12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
- 2,3-Epoxypropyl Methanesulphonate
- Decyl methyl ketone
- Dodecan-2-one
- Dodecanone-(2)
- Methyl decyl ketone
- N-Decyl methyl ketone
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LSKONYYRONEBKA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-Dodecanone |
| Molecular formula chemrof:molecular_formula | C12H24O |
| Molecular mass chemrof:molecular_mass | 184.323 |
| Monoisotopic mass chemrof:monoisotopic_mass | 184.182715, 184.18272 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCC(C)=O |
Known URLs
15Where 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=6175-49-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89284 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.025.657 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4022236 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2228472 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P5CN8YSV3P | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031019 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J97.897C | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00029455 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA12000163 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5535 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/22556 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21970810 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24421258 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27161470 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3d8a8c2b-f688-4180-ab49-de936c263a4c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 69118798-4c84-48c5-b8af-6035ddcc9621 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| ecb8c9b8-97b4-4e1f-8400-29aea751d570 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4c94aaff-3de3-4ae8-b3c7-a225f7725046 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 24de191d-8641-4af2-a067-a1b430043b30 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9ae307ce-9d61-4267-a42a-3a5168eb0ed6 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 656246e7-9b4b-4ff1-b902-fe8882458dfc | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 0fd77eb4-a3db-4817-be65-1d401dc9db61 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ae46bdf9-3db4-410a-870e-0d6b2390ac09 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6f219116-393d-4c1a-9f5f-568dfeff594a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 37a5136b-0a4e-43c4-928c-240b6e75f541 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 11058e20-ee52-4cbc-95c8-c38e0b2e9b7b | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 721a3ea6-80ec-4ce4-ab0f-d70b935b36c0 | 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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],
"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": [
"228-222-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=228-222-5"
],
"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,
"@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