Molecular Structure of Acetoxyacetic acid (CAS NO.13831-30-6):
IUPAC Name: 2-Acetyloxyacetic acid
Molecular Formula: C4H6O4
Molecular Weight: 118.09
EINECS: 237-541-9
Melting Point: 67-69 °C
Index of Refraction: 1.429
Molar Refractivity: 23.91 cm3
Molar Volume: 92.6 cm3
Surface Tension: 43.3 dyne/cm
Density: 1.274 g/cm3
Flash Point: 103.1 °C
Enthalpy of Vaporization: 54.94 kJ/mol
Boiling Point: 261.3 °C at 760 mmHg
Vapour Pressure: 0.00345 mmHg at 25 °C
Product Categories: C1 to C5; Carbonyl Compounds; Carboxylic Acids
Canonical SMILES: CC(=O)OCC(=O)O
InChI: InChI=1S/C4H6O4/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)
InChIKey: MLXDUYUQINCFFV-UHFFFAOYSA-N
Safety Information of Acetoxyacetic acid (CAS NO.13831-30-6):
Hazard Codes: C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-27-28-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: III
Acetoxyacetic acid (CAS NO.13831-30-6), its Synonyms are Acetic acid,2-(acetyloxy)- ; Aceticacid, (acetyloxy)- (9CI) ; Glycolic acid, acetate (6CI,7CI,8CI) ; (Acetyloxy)acetic acid ; 2-Hydroxyacetic acid acetate ; O-Acetylglycolic acid ; alpha-Acetoxyacetic acid .
The stabilities of the complexes with each metal ion are directly related to the basicities of the anions, and little or no bidentate chelation occurs between the metal ions and Acetoxyacetic acid .
In the absence of benzene derivatives, Manganic acetate in acetic acid with benzene, chlorobenzene, and toluene react with manganic acetate to form Acetoxyacetic acid or dimerize to succinic acid ; Acetoxyacetic acid is further degraded to methylene diacetate.
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