-
Name
BETA-METHYLLEVULINIC ACID
- EINECS
- CAS No. 6628-79-1
- Density 1.0932
- Solubility
- Melting Point 32°C
- Formula C6H10 O3
- Boiling Point 242 °C
- Molecular Weight 130.144
- Flash Point 116.5oC
- Transport Information
- Appearance
- Safety
- Risk Codes R36/37/38
-
Molecular Structure
- Hazard Symbols
- Synonyms Levulinicacid, 3-methyl- (6CI,7CI,8CI); 3-Methyllevulinic acid; NSC 59715; b-Methyllevulinic acid
- PSA 54.37000
- LogP 0.68620
3-Methyl-4-oxopentanoic acid Chemical Properties
Molecular Structure of 3-Methyl-4-oxopentanoic acid (CAS No.6628-79-1):
Molecular Formula: C6H10O3
Molecular Weight: 130.1418
CAS No: 6628-79-1
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.437
Molar Refractivity: 31.39 cm3
Molar Volume: 119.6 cm3
Surface Tension: 36.9 dyne/cm
Density: 1.087 g/cm3
Flash Point: 116.5 °C
Enthalpy of Vaporization: 52.69 kJ/mol
Boiling Point: 241.5 °C at 760 mmHg
Vapour Pressure: 0.0119 mmHg at 25°C
IUPAC Name: 3-Methyl-4-oxopentanoic acid
InChI: InChI=1/C6H10O3/c1-4(5(2)7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKey: NFIWUVRBASXMGK-UHFFFAOYAF
Std. InChI: InChI=1S/C6H10O3/c1-4(5(2)7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
Std. InChIKey: NFIWUVRBASXMGK-UHFFFAOYSA-N
3-Methyl-4-oxopentanoic acid Safety Profile
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
3-Methyl-4-oxopentanoic acid Specification
3-Methyl-4-oxopentanoic acid (CAS No.6628-79-1), its synonyms are 3-Methyl-4-oxopentanoic acid ; Pentanoic acid, 3-methyl-4-oxo- .
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