Ethylmalonic Acid
Product Information
Molecular Formula
C5H8O4
Molecular Weight
132.11
Description
Ethylmalonic Acid (CAS# 601-75-2) is used as a diagnostic agent used in the diagnosis of Ethylmalonic encephalopathy which is a rare autosomal recessive inborn error of metabolism.
Synonyms
2-ethylpropanedioic acid; 2-ethylpropanedioic acid
IUPAC Name
2-ethylpropanedioic acid
SMILES
CCC(C(=O)O)C(=O)O
InChI
InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
InChI Key
UKFXDFUAPNAMPJ-UHFFFAOYSA-N
Boiling Point
322.2 °C at 760 mmHg
Melting Point
112-114 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.311 g/cm3
Solubility
712.0 mg/mL
Appearance
Solid
LogP
0.18180
Safety Information
Precautionary Statement
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
0.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
132.04225873 g/mol
Monoisotopic Mass
132.04225873 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
115
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113967287-A | Antibacterial low-toxicity tooth/bone repair active material and preparation method thereof | 2021-11-26 |
| AU-2021104214-A4 | A process for developing lysophosphatidic acid receptor 6 (lpar6) antagonists that inhibit hepatocellular carcinoma growth | 2021-07-15 |
| CN-113372801-A | PU (polyurethane) antibacterial paint as well as preparation method and application thereof | 2021-06-30 |
| CN-113372691-A | Resin composition, reinforcing liquid, reinforcing layer, and optical protective film | 2021-06-23 |
| CN-113278021-A | Preparation method of 1, 7-diazaspiro [3.5] nonane-7-tert-butyl formate and oxalate thereof | 2021-05-29 |
| CN-113289049-A | Preparation method of acrylic foam material absorption core | 2021-05-28 |
| CN-113289049-B | Preparation method of acrylic foam material absorption core | 2021-05-28 |
| CN-114062570-A | Method for evaluating quality of pinellia ternate and sparrow lawn pinellia ternate based on organic acid | 2021-04-27 |
| CN-113101937-A | Doped mixed-valence copper catalyst and preparation method and application thereof | 2021-04-25 |
| CN-113024374-A | Kit and method for simultaneously extracting organic acid and amino acid | 2021-03-12 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22821849 | 2012-10-01 | Cannabinoid receptor antagonist-induced striated muscle toxicity and ethylmalonic-adipic aciduria in beagle dogs | Toxicological sciences : an official journal of the Society of Toxicology |
| 22786886 | 2012-09-01 | Arabidopsis ETHE1 encodes a sulfur dioxygenase that is essential for embryo and endosperm development | Plant physiology |
| 22424739 | 2012-05-01 | Biochemical, molecular, and clinical characteristics of children with short chain acyl-CoA dehydrogenase deficiency detected by newborn screening in California | Molecular genetics and metabolism |
| 22133302 | 2012-01-01 | Ethylmalonic acid impairs brain mitochondrial succinate and malate transport | Molecular genetics and metabolism |
| 22016388 | 2011-12-16 | Ethylmalonyl-CoA decarboxylase, a new enzyme involved in metabolite proofreading | The Journal of biological chemistry |
| 21985395 | 2011-11-07 | Synthesis, structural analysis, and magnetic properties of ethylmalonate-manganese(II) complexes | Inorganic chemistry |
| 21843962 | 2011-11-01 | Decreased oxidative phosphorylation and PGAM deficiency in horses suffering from atypical myopathy associated with acquired MADD | Molecular genetics and metabolism |
| 21689452 | 2011-06-20 | Efficacy and outcome of expanded newborn screening for metabolic diseases--report of 10 years from South-West Germany | Orphanet journal of rare diseases |
| 20440652 | 2011-04-01 | Biochemical diagnosis of mitochondrial disorders | Journal of inherited metabolic disease |
| 20528888 | 2011-04-01 | Ethylmalonic encephalopathy: application of improved biochemical and molecular diagnostic approaches | Clinical genetics |
