2-ethylhexyl Stearate
fo-69c0268b077274fd
Identity
- Type
- Neutral molecule
- CAS
- 22047-49-0
- EC
- 244-754-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
15- 2-Ethylhexyl octadecanoate
- Crodamol OS
- Crodamol OS-LQ
- ethyl hexyl stearate
- Exceparl EH-S
- Exceparl ES-H
- Nikkol STO
- Nissan Unister MB 876
- Octadecanoic acid, 2-ethylhexyl ester
- Octyl stearate
- Pelemol OS
- Stearic acid 2-ethylhexanyl ester
- Stearic acid, 2-ethylhexyl ester
- Tegosoft OS
- Unister MB 876
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | OPJWPPVYCOPDCM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 2-ethylhexyl Stearate |
| Molecular formula chemrof:molecular_formula | C26H52O2 |
| Molecular mass chemrof:molecular_mass | 396.7 |
| Monoisotopic mass chemrof:monoisotopic_mass | 396.396731 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC |
Known URLs
10Where 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=22047-49-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.040.671 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.084.469 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9047178 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184927 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EG3PA2K3K5 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J285.422H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13132266 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1369682 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27277167 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a2c5c7f6-2e1f-408d-bd09-ca3f9f667c59 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| ec84bd9d-fc71-4071-b84f-0f17851aba3b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 88fca3b1-56c1-495c-9aa3-719ea4411c83 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 96d0c838-16f2-4a55-9e89-3a5db5a65c14 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2b37b613-8aaf-4545-a0b0-0e283c529343 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 442e9746-3b92-405f-bf2f-b0d92a16f9ca | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 7bf41dc7-343c-4a10-b10e-3efca5a42b8f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 622a9617-1253-47ed-b381-28a6933dc66f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 68f09e18-bc67-4f01-b335-1bc66b8009e0 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| aecf5bcf-43bd-4adf-9a9c-7f5675d2c626 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c3ee89b4-f2de-444b-b6e6-02fd9d0ee04b | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 58ddf72e-dcd1-4239-9fc5-06bc71d0f4cb | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 055afc18-4800-4ed7-9220-9f49ee8efeea | 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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"http://www.w3.org/2004/02/skos/core#exactMatch": [
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"@id": "https://commonchemistry.cas.org/detail?cas_rn=22047-49-0"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"244-754-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=244-754-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"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