2-(14C)methoxy-2-methyl(2-14C)propane

• ChemBase ID: 131579
• Molecular Formular: C5H12O
• Molecular Mass: 92.13326398
• Monoisotopic Mass: 92.09529898
• SMILES: C[14C](C)(C)O[14CH3]
• Canonical SMILES: [14CH3]O[14C](C)(C)C
• InChI: InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3/i4+2,5+2
• InChIKey: BZLVMXJERCGZMT-MABBKULESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(^1^4C)methoxy-2-methyl(2-^1^4C)propane
• IUPAC Traditional name: 2-(^1^4C)methoxy-2-methyl(2-^1^4C)propane
• Synonyms: MTBE; Methyl t-butyl ether-(α,α′-14C)

Database IDs

• PubChem SID: 162225857
• PubChem CID: 71308454

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1785091
• LogD (pH = 7.4): 1.1785091
• Log P: 1.1785091
• Molar Refractivity: 26.8181 cm^3
• Polarizability: 10.631582 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: neat
• Flash Point: -27 °F; -33 °C
• Mass Shift: M+4

Safety Information

• RTECS: KN5250000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2398
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-38
• Safety Statements: 9-16-24
• RID/ADR: UN 2398 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: 1-10 mCi per mmol

DETAILS

Sigma Aldrich - M2052

包装
break-seal ampule