Brightway Flows 1.0
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Diethyl Hydrogen Phosphate

fo-82fc4f7450674aa2

Identity

Type
Neutral molecule
CAS
598-02-7
EC
209-912-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Diethyl Hydrogen Phosphate

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UCQFCFPECQILOL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
IUPAC name chemrof:IUPAC_name diethyl hydrogen phosphate
Molecular formula chemrof:molecular_formula C4H11O4P
Molecular mass chemrof:molecular_mass 154.102
Monoisotopic mass chemrof:monoisotopic_mass 154.039495, 154.0395
SMILES string chemrof:smiles_string CCOP(=O)(O)OCC

Known URLs

24

Where 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=598-02-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27708 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.012 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1044699 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=289195 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=289395 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8840 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=97178 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1232324 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W0QQU4CAB7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0012209 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.649G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06608 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06608 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=41914 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:DPF enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/654 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/17590257 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20494630 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22251442 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23522525 enrich_references.chebi_xrefs
reaxys reaxys:1704113 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0087 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q26841026 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1b681c5f-0ca7-4c23-8288-07a17d31a5c1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a2397755-4a5b-4a4f-bd70-8b27a5f576bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
134a43ce-6082-4d39-bc0c-eb4b6b91aa79 Environmental → Air → Indoor EF 3.1 kg 2
6d21d97e-9866-4bb1-92eb-6aa8c4084922 Environmental → Air → Long-term EF 3.1 kg 0
3e7f4e49-855d-4e3a-bffa-1668ad11fd1a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2a82d51a-5ce1-48c9-abfe-210a27db0915 Environmental → Air → Unknown EF 3.1 kg 2
26c756b4-73ab-4a32-8e75-b30343db4f1c Environmental → Ground → Agricultural EF 3.1 kg 2
7b67f9fa-a1dc-45fb-9765-87a40be7d10c Environmental → Ground → Non-agricultural EF 3.1 kg 2
acbb482c-6e2e-486c-9137-a43529b2d229 Environmental → Ground → Unknown EF 3.1 kg 2
dec6dfe9-30a8-4e9f-968e-11d9a6d9fd36 Environmental → Water → Long-term EF 3.1 kg 0
39dac357-31bc-422d-a944-623c440cd6dd Environmental → Water → Ocean EF 3.1 kg 2
a0eb6574-2ce0-4bf1-9cd9-18ccfd196f05 Environmental → Water → Surface water EF 3.1 kg 2
3eabddb5-e02f-416a-9313-72b69768d88a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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}

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