2-ethylhexyl Diphenyl Phosphate
fo-c29b5fc52833e361
Identity
- Type
- Neutral molecule
- CAS
- 1241-94-7
- EC
- 214-987-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
5- Diphenyl 2-ethylhexyl phosphate
- Disflamoll DPO
- EHDPP
- Octicizer
- Phosphoric acid, 2-ethylhexyl diphenyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CGSLYBDCEGBZCG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-ethylhexyl Diphenyl Phosphate |
| Molecular formula chemrof:molecular_formula | C20H27O4P |
| Molecular mass chemrof:molecular_mass | 362.406 |
| Monoisotopic mass chemrof:monoisotopic_mass | 362.164696, 362.1647 |
| SMILES string chemrof:smiles_string | CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1 |
Known URLs
16Where 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=1241-94-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:188855 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.013.625 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.14040.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1025300 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2105213 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4F53Z6NE1Y | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245120 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.469A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D78379 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/D05224 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C84026 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/14716 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3082 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27259513 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/2-Ethylhexyl_diphenyl_phosphate | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| cd0424a5-368e-4cf7-bfd1-4b9674d84204 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 92400c57-4cc7-4af0-a4d8-b0d543e1b254 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 21cebb78-7851-4741-ad9a-54c382313f45 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| ab1b6b13-5182-4f0a-9e27-3ee9118aa686 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 999b8158-5c10-4528-9b1c-9384c7f8eb56 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 20cc452e-6dc3-45b5-983e-72d4304407d8 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| c96b7a64-c660-4bc4-874f-3b9b27e714ca | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 0699b24a-3b34-4c36-9558-f9efc541cc3b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 331c6f4d-4e70-4a26-9ad1-df710b11d592 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 352a274a-fa45-4b48-bdc7-132523c6da65 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a3705cb5-0329-4535-a4d3-5733901daab9 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| b253cf28-0874-4858-bdcb-ecded497c9a5 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3f1f5b38-ee5b-4b8c-86e7-8cf2b3b26a1e | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"seed_uuid": "0699b24a-3b34-4c36-9558-f9efc541cc3b",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"1241-94-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=1241-94-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1241-94-7"
}
],
"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": [
"214-987-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=214-987-2"
],
"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