Diethyl Benzylmalonate

(Phenylmethyl)propanedioic acid diethyl ester
1,1-Bis(ethoxycarbonyl)-2-phenylethane
1,3-Diethyl 2-(phenylmethyl)propanedioate
1,3-Diethyl 2-benzylpropanedioate
2-Benzylmalonic acid diethyl ester
Benzylmalonic acid diethyl ester
Diethyl 2-benzylmalonate
Diethyl 2-benzylpropanedioate
Malonic acid, benzyl-, diethyl ester
Propanedioic acid, (phenylmethyl)-, diethyl ester
Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ICZLTZWATFXDLP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
IUPAC name chemrof:IUPAC_name	Diethyl Benzylmalonate
Molecular formula chemrof:molecular_formula	C14H18O4
Molecular mass chemrof:molecular_mass	250.294
Monoisotopic mass chemrof:monoisotopic_mass	250.120509
SMILES string chemrof:smiles_string	CCOC(=O)C(Cc1ccccc1)C(=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=607-81-8	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.221	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4022078	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41169	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=631631	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8720	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/40Y0X0XN6P	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.657A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/69090	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=134170	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27258358	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
5541949a-c67b-476d-bb66-d214ff69f19c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
a2e492c7-7842-4c78-8247-dfac0b231088	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c71bcb7b-50cb-4f6e-ae94-cdf03afeced7	Environmental → Air → Indoor	EF 3.1	kg	2
779b0083-2544-4a2e-90b0-3d8aace1c192	Environmental → Air → Long-term	EF 3.1	kg	0
ed087553-e9ba-4140-9567-b6b2a60375a3	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
10a3473d-e9c2-4ae8-9913-3ac77d459136	Environmental → Air → Unknown	EF 3.1	kg	2
6282d864-7628-4eec-8511-ab540c43ebad	Environmental → Ground → Agricultural	EF 3.1	kg	2
bdca9784-a12e-4d49-9a52-cc21c4ecb8f7	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
d758406c-cd92-4812-8cd6-8e75b41c9c5c	Environmental → Ground → Unknown	EF 3.1	kg	2
4b31138f-5079-4626-9fc2-cbbd9577a7c6	Environmental → Water → Long-term	EF 3.1	kg	0
cdb8cabe-b8d4-474a-abd6-2f5d3e9f88e3	Environmental → Water → Ocean	EF 3.1	kg	2
f1a8f302-c9a5-4d45-94a5-d8c835913f41	Environmental → Water → Surface water	EF 3.1	kg	2
a731792a-e4c5-46ce-b88b-fab02e69d589	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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}

Diethyl Benzylmalonate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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