Lauryl oleate
fo-aa43a2eb62620b6b
Identity
- Type
- Neutral molecule
- CAS
- 36078-10-1
- EC
- 252-862-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
8- 9-Octadecenoic acid (9Z)-, dodecyl ester
- 9-Octadecenoic acid (Z)-, dodecyl ester
- dodecyl (Z)-octadec-9-enoate
- Dodecyl Octadec-9-enoate/nfatty Acids, C16, C18 And C18-unsaturated Dodecyl Esters
- Dodecyl oleate
- Exceparl L-OL
- n-Lauryl oleate
- Oleic acid, dodecyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | OXPCWUWUWIWSGI-MSUUIHNZSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h16-17H,3-15,18-29H2,1-2H3/b17-16- |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCC |
| IUPAC name chemrof:IUPAC_name | Lauryl oleate |
| Molecular formula chemrof:molecular_formula | C30H58O2 |
| Molecular mass chemrof:molecular_mass | 450.792 |
| Monoisotopic mass chemrof:monoisotopic_mass | 450.44368, 450.443681 |
| SMILES string chemrof:smiles_string | CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCCCC |
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.
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 851d7ee2-5013-4f87-bd87-2e2c351d4efe | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 55bd1e98-2a7e-4f77-86cf-c6449fb4a19d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| b967530d-e3f8-4c5e-96b5-f85e09ec87de | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 2caf5695-515c-425e-8f33-aa5a5d4fb521 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 688c9210-6a01-4a41-b5fb-3e71981aef37 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 01f138b7-3dc4-4f6c-a89a-622e16468e64 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5c049a20-6867-4244-bc16-6c41ad6b509d | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 3aea1833-f065-41d9-a82c-1c2d984fa9cd | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| dc554b2d-932c-46e9-94b8-89220a5e03eb | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 71a134fe-8aab-4d62-a9ba-312c5c34dba4 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 167b2ab7-7ebb-431a-beeb-41918ae37ffd | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4381824b-35ee-4f0b-8851-124054dc9c8c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| b57e5dbb-c91c-4c9b-acd3-11842637caa1 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
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"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"36078-10-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=36078-10-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=36078-10-1"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"252-862-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=252-862-4"
],
"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