-
Name
ETHYLMALONIC ACID
- EINECS 210-007-2
- CAS No. 601-75-2
- Article Data41
- CAS DataBase
- Density 1.311 g/cm3
- Solubility Soluble in ethanol (50 mg/ ml-clear, colorless solution)
- Melting Point 112-114 °C(lit.)
- Formula C5H8 O4
- Boiling Point 322.2 °C at 760 mmHg
- Molecular Weight 132.116
- Flash Point 162.9 °C
- Transport Information
- Appearance white to faintly pink crystalline powder
- Safety 26-36
- Risk Codes R36/37/38
-
Molecular Structure
-
Hazard Symbols
- Synonyms Malonicacid, ethyl- (6CI,7CI,8CI); Propanedioic acid, ethyl- (9CI);1,1-Propanedicarboxylic acid; Ethylmalonic acid; NSC 96615; a-Carboxybutyric acid
- PSA 74.60000
- LogP 0.18180
Ethylmalonic acid Chemical Properties
Molecular Structure of Ethylmalonic acid (CAS NO.601-75-2):
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IUPAC Name: 2-Ethylpropanedioic acid
Molecular Formula: C5H8O4
Molecular Weight: 132.11
EINECS: 210-007-2
pKa Dissociation Constant: 2.96
log P (octanol-water): -0.340
Index of Refraction: 1.474
Molar Refractivity: 28.3 cm3
Molar Volume: 100.6 cm3
Surface Tension: 53.2 dyne/cm
Density: 1.311 g/cm3
Flash Point: 162.9 °C
Melting Point: 114 °C
Enthalpy of Vaporization: 62.01 kJ/mol
Boiling Point: 322.2 °C at 760 mmHg
Vapour Pressure: 5.83E-05 mmHg at 25 °C
Water Solubility: 7.12E+05 mg/L at 25 °C
Henry's Law Constant: 7.18E-12 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 3.70E-12 cm3/molecule-sec at 25 °C
Appearance: white to faintly pink crystalline powder
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)
InChIKey: UKFXDFUAPNAMPJ-UHFFFAOYSA-N
Product Categories: Pharmaceutical Intermediates; Miscellaneous; Carboxylic Acid Monomers; Monomers; Polymer Science; C1 to C5; Carbonyl Compounds; Carboxylic Acids
Ethylmalonic acid Safety Profile
Safety Information of Ethylmalonic acid (CAS NO.601-75-2):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Ethylmalonic acid Specification
Ethylmalonic acid (CAS NO.601-75-2), its Synonyms are 1,1-Propanedicarboxylic acid ; alpha-Carboxybutyric acid ; Malonic acid, ethyl- (8CI) ; Propanedioic acid, ethyl- (9CI) ; Propanedioic acid,2-ethyl- .
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