8.41645

3,3-Dimethyl-2-butanone

for synthesis

• Synonym(s): 3,3-Dimethyl-2-butanone, Pinacolone, Pinacoline, 1,1,1-Trimethylacetone, tert-Butyl methyl ketone
• Empirical Formula (Hill Notation): C₆H₁₂O
• CAS Number: 75-97-8
• Molecular Weight: 100.16
• UNSPSC Code: 12352115
• EC Index Number: 200-920-4
• NACRES: NA.22
• MDL number: MFCD00008846
• Assay: ≥97.0% (GC)
• Form: liquid

Properties

• vapor pressure: 33 hPa ( 20 °C)
• Quality Segment: 200
• assay: ≥97.0% (GC)
• form: liquid
• potency: 610 mg/kg LD₅₀, oral (Rat)
• bp: 105-106 °C/1013 hPa
• mp: -53 °C
• transition temp: flash point 5 °C
• density: 0.808 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O=C(C(C)(C)C)C
• InChI: 1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
• InChI key: PJGSXYOJTGTZAV-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 97.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.806 - 0.810
Identity (IR): passes test

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Codes: H225,H302
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P301 + P312
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point (°F): 41.0 °F - closed cup
• Flash Point (°C): 5 °C - closed cup