175889

tert-Butanol-d₁₀

99 atom % D

• Synonym(s): 2-Methyl-2-propanol-d₁₀, tert-Butyl alcohol-d₁₀
• Linear Formula: (CD₃)₃COD
• CAS Number: 53001-22-2
• Molecular Weight: 84.18
• EC Number: 258-288-0
• MDL number: MFCD00064244
• UNSPSC Code: 12142201
• PubChem Substance ID: 24850535
• NACRES: NA.21

Properties

• isotopic purity: 99 atom % D
• Assay: 99% (CP)
• form: liquid
• technique(s): NMR: suitable
• impurities: ≤0.5% water; water
• refractive index: n20/D 1.3835 (lit.)
• bp: 82 °C (lit.)
• density: 0.893 g/mL at 25 °C (lit.)
• mass shift: M+10
• SMILES string: [2H]OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
• InChI: 1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,5D
• InChI key: DKGAVHZHDRPRBM-SGLLWXCUSA-N

Description

General description

tert-Butanol-d₁₀ (tert-Butyl alcohol-d₁₀) is a deuterated derivative of tert-butanol. It participates in the synthesis of cyanoacetic acid-tert-butylester-d₉. Conformational analysis of 2,3-dihydroxypropanoic acid in tert-butyl alcohol-d₁₀ indicates the dominance of gauche-hydroxyl rotamers (92%) under low pH conditions.

Application

tert-Butanol-d₁₀ may be used in the synthesis of cyanoacetic acid-tert-butylester-d₉ and tert-butoxide-d₉ (BuOK-d₉).

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Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H319,H332,H335,H336
• Precautionary Statements: P210 - P233 - P240 - P241 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Target Organs: Central nervous system, Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 51.8 °F - closed cup
• Flash Point(C): 11 °C - closed cup