Succinic acid - CAS 110-15-6

Catalog:	BB002600
Product Name:	Succinic acid
CAS:	110-15-6
Synonyms:	butanedioic acid
Application:	Succinic Acid was identified in essential oil from Saxifraga stolonifera and has antibacterial activity.

Technical Data

IUPAC Name:	butanedioic acid
Description:	Succinic acid isolated from the rhizome of Gastrodia elata.
Molecular Weight:	118.09
Molecular Formula:	C4H6O4
Canonical SMILES:	C(CC(=O)O)C(=O)O
InChI:	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChI Key:	KDYFGRWQOYBRFD-UHFFFAOYSA-N
Boiling Point:	235 °C
Melting Point:	32-34°C
Flash Point:	89°C
Purity:	99 %
Density:	1.552 g/cm³
Solubility:	Sealed in dry, Room Temperature
Appearance:	Powder
Storage:	Sealed in dry, Room Temperature
Decomposition:	When heated to decomposition it emits acrid smoke and fumes
MDL:	MFCD00002789
LogP:	-0.06420
Quality Standard:	Enterprise Standard
pH:	2.7 (0.1 molar aq soln)
Refractive Index:	1.5312 (20°C)
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents. Air and light-sensitive. Hygroscopic.
Vapor Pressure:	1 mm Hg ( 20 °C)

GHS Hazard Statement:	H318 (82.05%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, P310, and P337+P313
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
31645725	20191001	Structural basis of species-selective antagonist binding to the succinate receptor	Nature
31401087	20190925	Morpholide derivative of the novel oleanolic oxime and succinic acid conjugate diminish the expression and activity of NF-κB and STATs in human hepatocellular carcinoma cells	Chemico-biological interactions
30013182	20180801	Krebs-cycle-deficient hereditary cancer syndromes are defined by defects in homologous-recombination DNA repair	Nature genetics
29968758	20180703	Structure-Activity Investigations and Optimisations of Non-metabolite Agonists for the Succinate Receptor 1	Scientific reports
29968805	20180703	Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics	Scientific reports

Complexity:	92.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.02660867
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	118.02660867
Rotatable Bond Count:	3
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6