Diethyl Malonate

Carbethoxyacetic ester
Dicarbethoxymethane
Diethyl propane-1,3-dioate
diethyl propanedioate
Ethyl 3-ethoxy-3-oxopropanoate
Ethyl malonate
Malonate diethyl ester
Malonic acid, diethyl ester
Methanedicarboxylic acid diethyl ester
Propanedioic acid, 1,3-diethyl ester
Propanedioic acid, diethyl ester

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	IYXGSMUGOJNHAZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
IUPAC name chemrof:IUPAC_name	Diethyl Malonate
Molecular formula chemrof:molecular_formula	C7H12O4
Molecular mass chemrof:molecular_mass	160.169
Monoisotopic mass chemrof:monoisotopic_mass	160.073559, 160.07356
SMILES string chemrof:smiles_string	CCOC(=O)CC(=O)OCC

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=105-53-3	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:167785	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.006	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1739	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.13863636.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7021863	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8864	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL177114	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/diethyl-malonate	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/53A58PA183	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0029573	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.234D	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43914	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7761	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/2395765	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27887610	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Diethyl_malonate	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
01bca12b-5a76-4765-9abb-7f15e2d3e8b3	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f98717fb-fb0b-4ae5-a86e-5ea528d65157	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
db379b4e-9bb1-4312-940d-56da87bb12e9	Environmental → Air → Indoor	EF 3.1	kg	2
f35a5324-b354-4bfd-a6d8-ce6665e854fa	Environmental → Air → Long-term	EF 3.1	kg	0
a328dd80-9e49-4ed6-8379-c469460e1194	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
22b4768a-da02-492c-a551-d3e11a263281	Environmental → Air → Unknown	EF 3.1	kg	2
23bed0e7-569c-4daf-a586-673e2f87c024	Environmental → Ground → Agricultural	EF 3.1	kg	2
5864fec4-9fc2-4484-a84d-1dfd131267bd	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
a37f4454-f238-4632-9ea2-e813a0ffb799	Environmental → Ground → Unknown	EF 3.1	kg	2
1a413f6a-75c9-472e-8709-9153ee450629	Environmental → Water → Long-term	EF 3.1	kg	0
357fe8f5-4e98-4776-96d5-ff9876281548	Environmental → Water → Ocean	EF 3.1	kg	2
f61b5f08-0d21-4a14-b322-c165571412c6	Environmental → Water → Surface water	EF 3.1	kg	2
2c067237-5b72-4453-a6a6-51a8448c586a	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

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Diethyl Malonate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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