55624

3-Hydroxy-3-methylbutyronitrile

≥97.0% (GC)

• Synonym(s): β-Hydroxyisovaleronitrile
• Linear Formula: HOC(CH₃)₂CH₂CN
• CAS Number: 13635-04-6
• Molecular Weight: 99.13
• Beilstein: 1738209
• MDL number: MFCD00043123
• UNSPSC Code: 12352100
• PubChem Substance ID: 57651542
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: ≥97.0% (GC)
• refractive index: n20/D 1.430
• bp: 114-116 °C/30 mmHg (lit.)
• density: 0.959 g/mL at 20 °C (lit.)
• functional group: hydroxyl; nitrile
• storage temp.: 2-8°C
• SMILES string: CC(C)(O)CC#N
• InChI: 1S/C5H9NO/c1-5(2,7)3-4-6/h7H,3H2,1-2H3
• InChI key: CWPMDJFBWQJRGT-UHFFFAOYSA-N

Description

General description

3-Hydroxy-3-methylbutyronitrile is a β-hydroxynitrile. It undergoes thermal degradation in gas phase via a six-membered cyclic transition state. 3-Hydroxy-3-methylbutyronitrile can be synthesized from 2-hydroxy-2-methyl-1-bromopropane.

Application

3-Hydroxy-3-methylbutyronitrile may be used to synthesize 1,1-dimethylcyanoethyl bromoacetate.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302 + H332
• Precautionary Statements: P261 - P264 - P271 - P301 + P312 - P304 + P340 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 206.6 °F - closed cup
• Flash Point(C): 97 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves