Hexyl Laurate
fo-1b66ad2723cdd608
Identity
- Type
- Neutral molecule
- CAS
- 34316-64-8
- EC
- 251-932-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
11- Cetiol A
- Crodamol HL-R
- Dodecanoic acid, hexyl ester
- Exceparl HL
- Hexyl dodecanoate
- KAK-HL
- Lauric acid, hexyl ester
- n-Hexyl laurate
- SR Crodamol HL
- SR Crodamol HL-LQ
- Standamul CTA
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | CMBYOWLFQAFZCP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H36O2/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h3-17H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Hexyl Laurate |
| Molecular formula chemrof:molecular_formula | C18H36O2 |
| Molecular mass chemrof:molecular_mass | 284.484 |
| Monoisotopic mass chemrof:monoisotopic_mass | 284.27153 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCC(=O)OCCCCCC |
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=34316-64-8 | enrich_references.consensus_cas_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88837 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.047.196 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6067830 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4CG9F9W01Q | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0061946 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J115.173H | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA07010466 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4111 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C83758 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/94454 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1367126 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27160826 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ef5f071d-255a-424c-a18b-ce442c98013e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 93daf9ee-a0a6-43b2-b271-a09df187d70f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| ddf51f62-4dce-4135-a258-948edff711e3 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 879cbf46-ed82-4d03-b520-9c7f971369d1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 320f3734-d516-42e8-b486-c5ca3cf758f1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 0e7fc2c8-5b6e-4c7e-95cf-14f751b902fc | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1df360ad-edfc-4422-ac8d-21f129e5de96 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 03d90934-afb2-4a56-856b-aef9fd978d59 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| c9d13c1b-842e-41fa-8a1e-fb354873cfb2 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 76a9360b-10eb-4337-8d5c-11b7863c3be6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0dead84b-696a-4e9f-a418-9d49582b3743 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4262588a-62fc-4246-a873-44a95962a44d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3ed67d13-e21a-468e-ae77-90b7620ac988 | 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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"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