Isopropyl Laurate
fo-25e4fc6fea6e6c49
Identity
- Type
- Neutral molecule
- CAS
- 10233-13-3
- EC
- 233-560-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
9- 1-methylethyl dodecanoate
- Dodecanoic acid isopropyl ester
- dodecanoic acid methyl ethyl ester
- Dodecanoic acid, 1-methylethyl ester
- Emcol-IL
- isopropyl dodecanoate
- Lauric acid, isopropyl ester
- Loxanol MI 6460
- propan-2-yl dodecanoate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UJPPXNXOEVDSRW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | Isopropyl Laurate |
| Molecular formula chemrof:molecular_formula | C15H30O2 |
| Molecular mass chemrof:molecular_mass | 242.403 |
| Monoisotopic mass chemrof:monoisotopic_mass | 242.22458 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCC(=O)OC(C)C |
Known URLs
24Where 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=10233-13-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89676 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.030.496 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3041904 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U0JQ94LABM | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0059820 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J183.057K | enrich_references.pubchem_identifier_url |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA07010674 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA07010674 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4319 | enrich_references.pubchem_identifier_url |
| patent | patent:US6955818 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:56S | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/25068 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19768121 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20730965 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20809147 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21841907 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22174797 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23941649 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24085780 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24421258 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26396194 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1363434 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q5971737 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4dcd3ba7-60a7-4517-a5cd-3aa57c74ddf3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 860e35c2-13d5-476c-b932-f06c2f8b3629 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8c995044-9938-4b96-b21a-6aa140a801a7 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 6e0494f3-1134-4187-a3a7-c9f0698b0aeb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ea722f08-145d-428d-b9ff-e92f56b300e8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 40651a1f-b1e2-49cf-bb3f-b129c43eeb8d | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 444c6f62-d72b-4ee6-9d31-9a263c10bdf8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 612ff0ba-0e08-482c-925b-899fd9e01b3b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| bc44e5be-6bbe-4014-96c5-200035336027 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| de61c92f-58e6-4c6d-8fb0-5c08b7ca8211 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d16553fa-8b77-42f6-9178-ba12b16f1262 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 06f07503-a2e6-4846-8a4f-da34ccd8f5aa | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 810f5f05-8b9a-4e53-b250-704c42b4e42f | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 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