Methyl Decanoate
fo-d1d79022173474ce
Identity
- Type
- Neutral molecule
- CAS
- 110-42-9
- EC
- 203-766-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
9- Capric acid methyl ester
- Decanoic acid, methyl ester
- Estasol MD 10
- Methyl caprate
- Methyl caprinate
- Methyl n-caprate
- Methyl n-decanoate
- Pastell M 10
- Uniphat A 30
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | YRHYCMZPEVDGFQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Methyl Decanoate |
| Molecular formula chemrof:molecular_formula | C11H22O2 |
| Molecular mass chemrof:molecular_mass | 186.295 |
| Monoisotopic mass chemrof:monoisotopic_mass | 186.16198 |
| SMILES string chemrof:smiles_string | CCCCCCCCCC(=O)OC |
Known URLs
13Where 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=110-42-9 | enrich_references.consensus_cas_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:143577 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.425 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4026842 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3713 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2137647 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U9L2W51J0B | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033848 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.975E | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA07010454 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4099 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8050 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q22808395 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a9ef18a6-3651-4107-97a0-d0f7c8d7b6a3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 685696b9-8cf2-4029-b4f3-b130dba2523f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 671b8503-25d6-4e46-a765-59e8deda6b89 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4ebf5972-8ba9-4bea-a517-2c5513d1eb8a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a82d8564-85cc-4119-b028-af07507133d4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 0c447fa1-19e5-46db-b31b-0df7df4237fd | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 005bdf9a-d3ff-4389-8824-6cb2a7fa3692 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 76361082-57c9-463d-81ef-22b098a50c7f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 005d16ff-6e95-43f9-b93c-71faf8009c65 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 20bc4b82-e61f-4084-afd7-4a456703c2e3 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2e1934f9-7302-44ab-91ff-e701a9ca5f72 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 31435a30-617e-4e4e-a087-cc8cc2ac8a91 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 392247b2-aee9-4504-aa67-a0c5136d7e83 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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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