Isopentyl Laurate
fo-cca2830ceaf78a5d
Identity
- Type
- Neutral molecule
- CAS
- 6309-51-9
- EC
- 228-626-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
9- 3-Methylbutyl dodecanoate
- Dermofeel sensolv
- Dermofeel Sensolv MB
- Dodecanoic acid, 3-methylbutyl ester
- Isoamyl dodecanoate
- Isoamyl laurate
- Isopentyl alcohol, laurate
- Lauric acid, isopentyl ester
- Mackaderm LIA-MB
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FVKRIDSRWFEQME-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | Isopentyl Laurate |
| Molecular formula chemrof:molecular_formula | C17H34O2 |
| Molecular mass chemrof:molecular_mass | 270.457 |
| Monoisotopic mass chemrof:monoisotopic_mass | 270.25588 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCC(=O)OCCC(C)C |
Known URLs
14Where 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=6309-51-9 | enrich_references.consensus_cas_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87343 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.026.024 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3064221 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=42577 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/isoamyl-laurate | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M1SLX00M3M | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0037372 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.865G | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA07010759 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47758 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/61386 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1313238 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27159546 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 136f2a87-d097-4511-a29b-6c4d4e38f5f5 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 8abc5fc0-967f-47ef-9a23-585820dc4b6f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| eb8ea542-da6e-4dcb-b4b7-e714ec248523 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| bbdd119a-9a5e-44d7-979f-768f764c27ea | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 8cba312f-2db1-4d72-be20-2f74e9e3375b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 445b310d-311e-44ff-ab35-ff3d3b09ad88 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 12b1f2fa-32bd-40a0-9bec-9f5a8392fc05 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 8ea2db4d-2000-42ed-805e-37d6a3f06f50 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3ff40324-a34f-4646-971e-a4b87d1a6fa0 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 275b13bb-7e05-4b4e-8b92-fca93096a424 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08e6abfc-12e9-4224-b4e4-6fad143fda22 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4e619dc2-ab46-4d0f-80c3-fb22fe2e9701 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 69b125a7-52af-435b-8acf-e43270b52187 | 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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},
"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