Decanoic Acid
fo-6c5e3b18702c8b9c
Identity
- Type
- Neutral molecule
- CAS
- 334-48-5
- EC
- 206-376-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
24- 1-Decanoic acid
- 1-nonanecarboxylic acid
- 10:0
- C10:0
- Caprates
- capric acid
- caprinic acid
- Caprynic acid
- CH3-[CH2]8-COOH
- Decanoate
- decoic acid
- Decylic acid
- Dekansaeure
- Edenor C 10-98-100
- Kaprinsaeure
- Lunac 10-95
- Lunac 10-98
- Lunac 10-98E
- n-Capric acid
- n-decanoic acid
- n-decoic acid
- n-decylic acid
- Palamac 99-10
- Palmac 99-10
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | GHVNFZFCNZKVNT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) |
| IUPAC name chemrof:IUPAC_name | Decanoic Acid |
| 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 | CCCCCCCCCC(=O)O |
Known URLs
35Where 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:1754556 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=334-48-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30813 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.798 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9021554 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB03600 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03600 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5025 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL107498 | enrich_references.pubchem_identifier_url |
| ecmdb | ecmdb:ECMDB21204 | enrich_references.chebi_xrefs |
| femaflavor.org | https://www.femaflavor.org/flavor-library/decanoic-acid | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:69184 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4G9EDB6V73 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000511 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.575E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01571 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01571 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00001213 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA01010010 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA01010010 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=32 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-3617 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68329 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:DKA | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL107498 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/2969 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=060330 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19168249 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20661498 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24284257 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24357269 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/22380 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q422613 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Capric_acid | enrich_references.pubchem_identifier_url |
| ymdb | ymdb:YMDB00677 | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d2c9cb19-61c7-4818-b509-68df29448528 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 95251726-1dbb-457a-87b2-6de2034026a9 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| f9533d15-c0eb-4467-b73d-2e9247bf7a64 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| c751509d-96a5-40ce-a188-becbde707cc5 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 8d8dd771-7799-4b6c-b3a4-117e2aaa190a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| b80f8389-6538-45e9-879d-6bc7d7a1bbe3 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 19289bdf-8252-4bf2-a36a-c2edb4aedbf2 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| c3132679-3063-4196-a043-19194c04eed7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| e91a0b58-a10a-49e3-924f-4b08e3660eaf | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 10eee754-728f-4efb-af3f-d1976d7f5012 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1fbadba3-1cf6-4c2b-adf2-783d45990273 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 7d9ed932-53f0-4320-9047-e64b2e410950 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 7040ee6c-977c-4c7a-bd59-af743311551e | 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-6c5e3b18702c8b9c",
"prefLabel": [
{
"@value": "Decanoic Acid",
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{
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{
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{
"@value": "Caprates",
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{
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{
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{
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},
{
"@value": "CH3-[CH2]8-COOH",
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},
{
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},
{
"@value": "decoic acid",
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},
{
"@value": "Decylic acid",
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},
{
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{
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},
{
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},
{
"@value": "Lunac 10-95",
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},
{
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},
{
"@value": "Lunac 10-98E",
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},
{
"@value": "n-Capric acid",
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{
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},
{
"@value": "n-decoic acid",
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},
{
"@value": "n-decylic acid",
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},
{
"@value": "Palamac 99-10",
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{
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],
"properties": {
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"@value": [
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],
"attested_by": {
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},
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},
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"@value": [
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},
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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