Diethyl glutarate - CAS 818-38-2

Catalog:	BB036710
Product Name:	Diethyl glutarate
CAS:	818-38-2
Synonyms:	Pentanedioic acid, 1,5-diethyl ester; Glutaric acid, diethyl ester; Pentanedioic acid, diethyl ester; Ethyl glutarate; NSC 8890

Technical Data

Patents

Computed Properties

IUPAC Name:	diethyl pentanedioate
Molecular Weight:	188.22
Molecular Formula:	C9H16O4
Canonical SMILES:	CCOC(=O)CCCC(=O)OCC
InChI:	InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3
InChI Key:	OUWSNHWQZPEFEX-UHFFFAOYSA-N
Boiling Point:	236.5°C
Melting Point:	-24.1°C
Purity:	95%
Density:	1.02704 g/cm3
Appearance:	Colorless liquid
MDL:	MFCD00009212
LogP:	1.28290

Publication Number	Title	Priority Date
WO-2021122684-A1	Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals	20191220
EP-3838882-A1	2,4-diethylocta-2,6-dienal and its use as aroma chemical	20191218
WO-2021122674-A1	2,4-diethylocta-2,6-dienal and its use as aroma chemical	20191218
EP-3838895-A1	Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and use thereof as aroma chemicals	20191216
WO-2021122558-A1	Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and use thereof as aroma chemicals	20191216

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Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.10485899
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.10485899
Rotatable Bond Count:	8
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1