(2-14C)propan-2-one

• ChemBase ID: 131412
• Molecular Formular: C3H6O
• Molecular Mass: 60.07168199
• Monoisotopic Mass: 60.0451068
• SMILES: C[14C](=O)C
• Canonical SMILES: C[14C](=O)C
• InChI: InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i3+2
• InChIKey: CSCPPACGZOOCGX-YZRHJBSPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-^1^4C)propan-2-one
• IUPAC Traditional name: (2-^1^4C)propan-2-one
• Synonyms: Acetone-2-14C

Database IDs

• CAS Number: 19573-08-1
• MDL Number: MFCD00069968
• PubChem SID: 24858537; 162225690
• PubChem CID: 11126172

CALCULATED PROPERTIES

• Acid pKa: 19.51124
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.106279805
• LogD (pH = 7.4): 0.106279805
• Log P: 0.106279805
• Molar Refractivity: 16.1948 cm^3
• Polarizability: 6.329682 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C

Safety Information

• European Hazard Symbols: Flammable (F); R; Irritant (Xi)
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• Risk Statements: 11-37/38-41
• Safety Statements: 16-26-36/37/39
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

DETAILS

Sigma Aldrich - 311626

包装
Break-seal ampule