(13C)methanol

• ChemBase ID: 135104
• Molecular Formular: CH4O
• Molecular Mass: 33.03451484
• Monoisotopic Mass: 33.02956959
• SMILES: [13CH3]O
• Canonical SMILES: [13CH3]O
• InChI: InChI=1S/CH4O/c1-2/h2H,1H3/i1+1
• InChIKey: OKKJLVBELUTLKV-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)methanol
• IUPAC Traditional name: (^1^3C)methanol
• Synonyms: Methyl-13C,d3 alcohol; Methanol-13C,d3; Methanol-13C, d2 (Methyl alcohol); Methyl-13C,d2 alcohol; Methanol-13C,d2; Methyl-13C alcohol-d; Methan(ol-d),13C; Methyl-13C alcohol; Methanol-13C; Methyl alcohol-13C,d4; Methyl-13C,d3 alcohol-d; Methanol-13C,d4; 木精-13C,d3; 甲醇-13C,d3; 甲醇-13C, d2（木精）; 甲醇-13C,d2; 甲醇-13C,d2; 氘代甲醇-D-13C; 氘代甲醇,13C; 木精-13C; 甲醇-13C; 木精-13C,d4; 氘代甲醇-13C,d3; 甲醇-13C,d4

Database IDs

• CAS Number: 154441-63-1; 93704-35-9; 14742-26-8; 32479-98-4
• EC Number: 200-659-6
• MDL Number: MFCD08702852; MFCD00064285; MFCD00190340; MFCD08702923; MFCD00037595
• Beilstein Number: 1697016
• PubChem SID: 24856739; 162229379; 24857684; 24884116
• PubChem CID: 11205710

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(lit.)
• Boiling Point: 64.7 °C(lit.); 65.4 °C; 65.4 °C(lit.)
• Flash Point: 11 °C; 51.8 °F
• Density: 0.815 g/mL at 25 °C; 0.840 g/mL at 25 °C; 0.865 g/mL at 25 °C; 0.888 g/mL at 25 °C(lit.); 0.915 g/mL at 25 °C
• Refractive Index: n20/D 1.3256(lit.); n20/D 1.329; n20/D 1.329(lit.)
• Mass Shift: M+1; M+2; M+3; M+4; M+5

Safety Information

• RTECS: PC1400000
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11; 11-23/24/25-39/23/24/25; 11-23/25
• Safety Statements: 16; 7-16-24-45; 7-16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H315-H319-H331-H370; H225-H301-H311-H331-H370; H225-H301-H331
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P305 + P351 + P338-P311; P210-P260-P280-P301 + P310-P311; P210-P261-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

• Grade: puriss.
• Isotopic Purity: ≥98.5 atom % 13C; 97 atom % 13C; 98 atom % D; 99 atom % 13C; 99.5 atom % D
• Mol. Weight: mol wt 33.03 by atom % calculation; mol wt 34.04 by atom % calculation; mol wt 34.98 by atom % calculation; mol wt 35.98 by atom % calculation; mol wt 37.06 by atom % calculation
• Linear Formula: 13CD3OD; 13CD3OH; 13CH3OD; 13CH3OH; 13CHD2OH

DETAILS

Sigma Aldrich - 293865

Packaging
1, 5 g in ampule
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Sigma Aldrich - 606936

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Sigma Aldrich - 603546

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Sigma Aldrich - 277177

Packaging
1, 5 g in ampule
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Sigma Aldrich - 607282

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Sigma Aldrich - 639273

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.