(18O2)peroxol

• ChemBase ID: 136270
• Molecular Formular: H2O2
• Molecular Mass: 38.014202
• Monoisotopic Mass: 38.01397206
• SMILES: [18OH][18OH]
• Canonical SMILES: [18OH][18OH]
• InChI: InChI=1S/H2O2/c1-2/h1-2H/i1+2,2+2
• InChIKey: MHAJPDPJQMAIIY-XPULMUKRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^8O₂)peroxol
• IUPAC Traditional name: (^1^8O₂)peroxol
• Synonyms: Hydrogen peroxide-18O2 solution; 过氧化氢-18O2 溶液

Database IDs

• MDL Number: MFCD08702876
• PubChem SID: 162230541
• PubChem CID: 56846506

CALCULATED PROPERTIES

• Acid pKa: 11.520607
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.44720283
• LogD (pH = 7.4): -0.44723517
• Log P: -0.4472024
• Molar Refractivity: 5.1292 cm^3
• Polarizability: 2.1743076 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: -20°C

Product Information

• Concentration: 2-3% in H2O
• Isotopic Purity: 90 atom % 18O
• Mol. Weight: mol wt 37.62 by atom % calculation
• Linear Formula: H218O2

DETAILS

Sigma Aldrich - 609978

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.