Consensus flow list

Diethyl Maleate

fo-c6d510538d1b56fa

Identity

Type
Neutral molecule
CAS
141-05-9
EC
205-451-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Diethyl Maleate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IEPRKVQEAMIZSS-WAYWQWQTSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
Isomeric SMILES string chemrof:isomeric_smiles_string CCOC(=O)/C=C\C(=O)OCC
IUPAC name chemrof:IUPAC_name Diethyl Maleate
Molecular formula chemrof:molecular_formula C8H12O4
Molecular mass chemrof:molecular_mass 172.18
Monoisotopic mass chemrof:monoisotopic_mass 172.073559, 172.07356
SMILES string chemrof:smiles_string CCOC(=O)C=CC(=O)OCC

Known URLs

17

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=141-05-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68508 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.957 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020464 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8394 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2037000 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G81WQB56OL enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0038601 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.802E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5271566 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=208584 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/1471155 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1609410 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3341033 enrich_references.chebi_xrefs
reaxys reaxys:907616 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1646591 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Diethyl_maleate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
434f605d-ac34-40a8-9b9b-512b61f2d949 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
246f3d1b-8828-433a-8e75-8f38d8f58024 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2abf86df-a23e-48c7-a8ae-060eb2a6ffcb Environmental → Air → Indoor EF 3.1 kg 2
2960f51d-6171-49bd-9263-08c3d61c33c3 Environmental → Air → Long-term EF 3.1 kg 0
e30ae567-f015-4b64-b2dc-9f29a782adc4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3b5685c7-7182-47e7-a22a-a3771399ba8f Environmental → Air → Unknown EF 3.1 kg 2
cfb780a4-ebbb-4f4b-a1b4-29d0164c60ec Environmental → Ground → Agricultural EF 3.1 kg 2
e6096a3d-58b3-4651-99cb-9e930dfc61a7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d6c9220e-f6f5-459a-bae0-1739c709032b Environmental → Ground → Unknown EF 3.1 kg 2
5109768e-5a15-4073-a774-0092dbc8fcdd Environmental → Water → Long-term EF 3.1 kg 0
edb64a3a-028b-4772-8b98-fafdae619dec Environmental → Water → Ocean EF 3.1 kg 2
b4149ab6-e6aa-4ffe-9e3f-3ee7ccf5d2b6 Environmental → Water → Surface water EF 3.1 kg 2
99b1551b-90d7-407a-8b5d-38c08545385b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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