Diethyl Succinate - CAS 123-25-1

Catalog:	BB005650
Product Name:	Diethyl Succinate
CAS:	123-25-1
Synonyms:	butanedioic acid diethyl ester; diethyl butanedioate
Application:	This product is suitable for scientific research.

Technical Data

IUPAC Name:	diethyl butanedioate
Description:	Diethyl Succinate (CAS# 123-25-1) is a diester molecule present naturally in plant and animal tissues. Used commonly in fragrances and food flavourings.
Molecular Weight:	174.19
Molecular Formula:	C8H14O4
Canonical SMILES:	CCOC(=O)CCC(=O)OCC
InChI:	InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
InChI Key:	DKMROQRQHGEIOW-UHFFFAOYSA-N
Boiling Point:	218 °C (lit.)
Melting Point:	-20 °C
Flash Point:	195 °F
Purity:	> 99.0 % (GC)
Density:	1.047 g/mL at 25 °C (lit.)
Solubility:	0.11 M;19.1 mg/mL at 25 °C;19.1 mg/mL at 25 °C;Solubility in water, g/100ml at 25 °C: 0.2;1 mL in 50 mL water; miscible in alcohol, ether, oils
Appearance:	Colorless to almost colorless clear liquid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00009208
LogP:	0.89280
Quality Standard:	100
Refractive Index:	n20/D 1.42(lit.)
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	0.126mmHg at 25°C

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PMID	Publication Date	Title	Journal
22120647	20120301	Comparative metabolic profiling to investigate the contribution of O. oeni MLF starter cultures to red wine composition	Journal of industrial microbiology & biotechnology
22805835	20120301	Impact of different malolactic fermentation inoculation scenarios on Riesling wine aroma	World journal of microbiology & biotechnology
22146049	20120118	Real-time molecular imaging of tricarboxylic acid cycle metabolism in vivo by hyperpolarized 1-(13)C diethyl succinate	Journal of the American Chemical Society
22265473	20120115	Effectiveness of high-throughput miniaturized sorbent- and solid phase microextraction techniques combined with gas chromatography-mass spectrometry analysis for a rapid screening of volatile and semi-volatile composition of wines--a comparative study	Talanta
22393353	20120101	Biodiversity of indigenous Saccharomyces populations from old wineries of south-eastern Sicily (Italy): preservation and economic potential	PloS one

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.08920892
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.08920892
Rotatable Bond Count:	7
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2