(12C)methanol

• ChemBase ID: 135295
• Molecular Formular: CH4O
• Molecular Mass: 32.03116
• Monoisotopic Mass: 32.02621475
• SMILES: [12CH3]O
• Canonical SMILES: [12CH3]O
• InChI: InChI=1S/CH4O/c1-2/h2H,1H3/i1+0
• InChIKey: OKKJLVBELUTLKV-IGMARMGPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^2C)methanol
• IUPAC Traditional name: (^1^2C)methanol
• Synonyms: Methyl-12C alcohol; Methanol-12C; 木精-12C; 甲醇-12C

Database IDs

• EC Number: 200-659-6
• MDL Number: MFCD00198121
• PubChem SID: 162229570
• PubChem CID: 71309207

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: 65.4 °C(lit.)
• Flash Point: 48.2 °F; 9 °C
• Density: 0.791 g/mL at 25 °C
• Mass Shift: depleted

Safety Information

• RTECS: PC1400000
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45
• 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), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2

Product Information

• Isotopic Purity: 99.95 atom % 12C
• Description: 13C-depleted
• Mol. Weight: mol wt 32.03 by atom % calculation
• Linear Formula: 12CH3OH

DETAILS

Sigma Aldrich - 606723

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.