Diethyl Phosphonate
fo-83dbf98e87fa0625
Identity
- Type
- Neutral molecule
- CAS
- 762-04-9
- EC
- 212-091-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
8- Diethoxyphosphine oxide
- Diethyl acid phosphite
- Diethyl hydrogen phosphite
- Diethyl phosphite
- Ethyl phosphite, (EtO)2(HO)P
- Hydrogen diethyl phosphite
- Phosphonic acid diethyl ester
- Phosphonic acid, diethyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LXCYSACZTOKNNS-UHFFFAOYSA-N, MJUJXFBTEFXVKU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Diethyl Phosphonate |
| Molecular formula chemrof:molecular_formula | C4H10O3P+, C4H11O3P |
| SMILES string chemrof:smiles_string | CCO[PH](=O)OCC |
Known URLs
18Where 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=762-04-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:41962 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.010.992 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02811 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2665 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U9X9YBA22W | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2920.22.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.729I | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=147366 | enrich_references.pubchem_identifier_url |
| pdb | pdb:5ADO | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:DEP | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6327654 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22986831 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23688038 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24306125 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27774510 | enrich_references.chebi_xrefs |
| reaxys | reaxys:605759 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q126672959 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 791da253-cb1f-41a2-a39d-3dc9fe31ba98 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 31aad05f-1d01-4324-af05-f7bf033a2092 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 9abf6b97-158f-49af-8ee2-db148822ec21 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 04194d81-efc8-4dd2-997b-d2d30531be3d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 668a0ee7-70a3-4353-820d-8a4e910e076b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 3c9955a7-fe1d-4576-b348-27d33bec9bbc | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08004b4c-c0e7-4755-93d3-e4cf59c542a7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| af7e966b-84ce-4e83-81b1-2b6ae2fb9524 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 24624dad-5925-4c74-b846-c67b8a1a4322 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 88c14850-2654-4766-8759-a2ffc1108f2b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b6001c4a-e4eb-4b6a-937c-5e25c1b3c902 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 305aec77-3c2c-44c8-af54-409731c3ca9f | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| abe383f7-a04c-4b27-be1a-520346f944ff | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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"https://echa.europa.eu/search-for-chemicals?query=212-091-6"
],
"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,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A phosphonic ester that is the diethyl ester of phosphonic acid.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_41962"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@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