Ethylmalonic Acid - CAS 601-75-2
Catalog: |
BB030608 |
Product Name: |
Ethylmalonic Acid |
CAS: |
601-75-2 |
Synonyms: |
2-ethylpropanedioic acid; 2-ethylpropanedioic acid |
IUPAC Name: | 2-ethylpropanedioic acid |
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. |
Molecular Weight: | 132.11 |
Molecular Formula: | C5H8O4 |
Canonical 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 |
MDL: | MFCD00002668 |
LogP: | 0.18180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
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 |
Publication Number | Title | Priority Date |
EP-2959981-A1 | A coating system | 20140626 |
WO-2015197552-A1 | A coating system | 20140626 |
EP-2960319-A2 | Hydrocarbyl soluble quaternary ammonium carboxylates and fuel compositions containing them | 20140625 |
WO-2015192942-A1 | Fullerene derivatives | 20140617 |
US-2015357204-A1 | Quaternary ammonium salt compound, composition for forming a resist under layer film, and patterning process | 20140604 |
PMID | Publication Date | Title | Journal |
22821849 | 20121001 | 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 | 20120901 | Arabidopsis ETHE1 encodes a sulfur dioxygenase that is essential for embryo and endosperm development | Plant physiology |
22424739 | 20120501 | 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 | 20120101 | Ethylmalonic acid impairs brain mitochondrial succinate and malate transport | Molecular genetics and metabolism |
22016388 | 20111216 | Ethylmalonyl-CoA decarboxylase, a new enzyme involved in metabolite proofreading | The Journal of biological chemistry |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.04225873 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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