methan(2H)ol

• ChemBase ID: 112313
• Molecular Formular: CH4O
• Molecular Mass: 32.04186
• Monoisotopic Mass: 32.02621475
• SMILES: OC
• Canonical SMILES: CO
• InChI: InChI=1S/CH4O/c1-2/h2H,1H3
• InChIKey: OKKJLVBELUTLKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methan(^2H)ol
• IUPAC Traditional name: methan(^2H)ol
• Synonyms: Methanol-d; DEUTERO METHANOL, CH(3)OD; Methyl alcohol-OD; mono-Deuteromethanol; Methan(ol-d); Methanol-d; 氘代甲醇-d

Database IDs

• CAS Number: 1455-13-6
• EC Number: 215-933-0
• MDL Number: MFCD00044213
• Beilstein Number: 1730948
• PubChem SID: 162096920; 24879126; 24849182
• PubChem CID: 123113

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

• Melting Point: -98°C
• Boiling Point: 64.7°C; 65°C; 65.5 °C(lit.)
• Flash Point: 11 °C; 11°C (closed cup); 11°C(54°F); 51.8 °F
• Density: 0.813; 0.813 g/mL at 25 °C(lit.)
• Refractive Index: 1.3270; n20/D 1.327(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230; UN1230
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H300-H310-H330-H370; H225-H301 + H311 + H331-H370; H225-H301-H311-H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311; P210-P301+P310-P303+P361+P353-P304+P340-P320-P330-P361-P405-P501A
• RID/ADR: UN 1230 3/PG 2

Product Information

• Purity: 99% (CP); 99.5+% (Isotopic)
• Isotopic Purity: ≥99.5 atom % D; 99 atom % D; 99.5 atom % D
• Mol. Weight: mol wt 33.05
• Linear Formula: CH3OD

DETAILS

MP Biomedicals - 05223468

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 151939

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 550574

Packaging
25, 100 g in glass bottle