(2H2)methanol

• ChemBase ID: 151073
• Molecular Formular: CH4O
• Molecular Mass: 32.04186
• Monoisotopic Mass: 32.02621475
• SMILES: CO
• Canonical SMILES: CO
• InChI: InChI=1S/CH4O/c1-2/h2H,1H3
• InChIKey: OKKJLVBELUTLKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₂)methanol
• IUPAC Traditional name: (^2H₂)methanol
• Synonyms: Methanol-d2,OH; Methanol-d2; Methyl-d2 alcohol; Methan-d2-ol; 木精-d2; 甲基-d2 醇; 甲醇-d2,OH; 甲醇-d2

Database IDs

• CAS Number: 28563-35-1
• MDL Number: MFCD00144753
• PubChem SID: 162245231; 24872222
• PubChem CID: 12812205

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: 11 °C; 51.8 °F
• Density: 0.840 g/mL at 25 °C
• Refractive Index: n20/D 1.326(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1230
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H315-H319-H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P305 + P351 + P338-P311
• RID/ADR: UN 1230 3/PG 2

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 34.02 by atom % calculation
• Linear Formula: CD2HOH

DETAILS

Sigma Aldrich - 486884

Packaging
5 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.