methan(18O)ol

• ChemBase ID: 139786
• Molecular Formular: CH4O
• Molecular Mass: 34.041621
• Monoisotopic Mass: 34.03046113
• SMILES: C[18OH]
• Canonical SMILES: C[18OH]
• InChI: InChI=1S/CH4O/c1-2/h2H,1H3/i2+2
• InChIKey: OKKJLVBELUTLKV-HQMMCQRPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methan(^1^8O)ol
• IUPAC Traditional name: methan(^1^8O)ol
• Synonyms: Methyl alcohol-18O; Methanol-18O; 木精-18O; 甲醇-18O

Database IDs

• CAS Number: 5770-05-8
• MDL Number: MFCD00144752
• PubChem SID: 24882021; 162234034
• PubChem CID: 12201672

CALCULATED PROPERTIES

• Acid pKa: 15.775593
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.51857704
• LogD (pH = 7.4): -0.5185771
• Log P: -0.51857704
• Molar Refractivity: 8.2613 cm^3
• Polarizability: 3.208889 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 64.7 °C(lit.)
• Flash Point: 11 °C; 51.8 °F
• Density: 0.838 g/mL at 25 °C
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• German water hazard class: 3
• Risk Statements: 11-23/25-36/38
• Safety Statements: 7-16-24-33-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301 + H311 + H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)

Product Information

• Isotopic Purity: 95 atom % 18O
• Mol. Weight: mol wt 33.95 by atom % calculation
• Linear Formula: CH318OH

DETAILS

Sigma Aldrich - 609889

Packaging
1 g in ampule
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.