8.22093

5-Methyl-2-hexanone

for synthesis

• Synonym(s): 5-Methyl-2-hexanone, Methyl isoamyl ketone, Isoamyl methyl ketone
• Empirical Formula (Hill Notation): C₇H₁₄O
• CAS Number: 110-12-3
• Molecular Weight: 114.19
• UNSPSC Code: 12352115
• EC Index Number: 203-737-8
• NACRES: NA.22
• MDL number: MFCD00008950
• Assay: ≥98% (GC)
• Grade: synthesis grade
• Bp: 144 °C/1013 hPa
• Vapor pressure: 5.3 hPa ( 20 °C)

Properties

• grade: synthesis grade
• Quality Segment: 200
• vapor pressure: 5.3 hPa ( 20 °C)
• assay: ≥98% (GC)
• form: liquid
• autoignition temp.: 455 °C
• potency: 3200 mg/kg LD₅₀, oral (Rat), 8100 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.4 % (v/v)
• dilution: (for synthesis)
• bp: 144 °C/1013 hPa
• mp: -74 °C
• transition temp: flash point 43 °C
• solubility: 5.4 g/L
• density: 0.81 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O=C(CCC(C)C)C
• InChI: 1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
• InChI key: FFWSICBKRCICMR-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.811 - 0.813
Identity (IR): passes test

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H332
• pcodes: P210 - P233 - P240 - P241 - P242 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk: WGK 1
• flash_point_f: 104.0 °F - closed cup
• flash_point_c: 40 °C - closed cup