Diethyl 1,4-cyclohexanedicarboxylate

1,4-Cyclohexane dicarboxylic diethyl ester
1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester
1,4-Cyclohexanedicarboxylic acid, diethyl ester
Fructalate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	KRJHRNUTLDTSKY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
IUPAC name chemrof:IUPAC_name	Diethyl 1,4-cyclohexanedicarboxylate
Molecular formula chemrof:molecular_formula	C12H20O4
Molecular mass chemrof:molecular_mass	228.288
Monoisotopic mass chemrof:monoisotopic_mass	228.136159
SMILES string chemrof:smiles_string	CCOC(=O)C1CCC(C(=O)OCC)CC1

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=72903-27-6	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.101.618	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.162.615	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID001248653	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0052469	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=78975	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.250.570H	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J437.489D	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J437.490H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/254555	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81985110	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
62177f29-363d-4de3-b32c-844342df7589	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
b373f325-81b1-4b0a-8b8d-fc4d77bd16c0	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
0665eaa7-2701-447c-b09e-2ed05cc92475	Environmental → Air → Indoor	EF 3.1	kg	4
2eef49e2-f81a-4d87-b565-bbd68d9c4e6c	Environmental → Air → Long-term	EF 3.1	kg	0
b6aaa314-f117-401c-b84c-a3ea8fcdd763	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
dd8c845b-8086-440a-9c09-529bafe61280	Environmental → Air → Unknown	EF 3.1	kg	4
392630d9-1538-4998-a5f9-c07c27f4d737	Environmental → Ground → Agricultural	EF 3.1	kg	4
bb5dc7f1-5037-42f0-9249-aeb120f167ee	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
4f4d65de-8501-433b-89d4-47fe95c750ad	Environmental → Ground → Unknown	EF 3.1	kg	4
37046603-f0ed-4c32-937c-f131c8425410	Environmental → Water → Long-term	EF 3.1	kg	0
d5951a0d-7233-4ada-a633-a4f0a6426318	Environmental → Water → Ocean	EF 3.1	kg	4
81238bf6-523e-4f70-acc3-cc51864fc365	Environmental → Water → Surface water	EF 3.1	kg	4
7090b115-4dda-4576-a7d9-0cedeb9d7703	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

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Flow object JSON

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Diethyl 1,4-cyclohexanedicarboxylate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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