8.05791

Mesityl oxide

for synthesis

• Synonym(s): Mesityl oxide, Isopropylideneacetone, 4-Methyl-3-penten-2-one
• Linear Formula: (CH₃)₂CCHCOCH₃
• CAS Number: 141-79-7
• Molecular Weight: 98.14
• UNSPSC Code: 12352115
• EC Index Number: 205-502-5
• NACRES: NA.22
• MDL number: MFCD00008900
• Form: liquid

Properties

• vapor pressure: 10.5 hPa ( 20 °C)
• Quality Segment: 200
• form: liquid
• autoignition temp.: 344 °C
• potency: 1120 mg/kg LD₅₀, oral (Rat), 5150 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.4-10.1 % (v/v)
• bp: 130 °C/1013 hPa
• mp: -59 °C
• transition temp: flash point 28 °C
• density: 0.85 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O=C(C)C=C(C)C
• InChI: 1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
• InChI key: SHOJXDKTYKFBRD-UHFFFAOYSA-N

Description

Application

• Nanomaterial synthesis: Mesityl oxide is employed in the chemical reactivity studies of the tryptophan/acetone/DMSO triad system, highlighting its potential applications in the innovative synthesis of nanomaterials, advancing green chemistry initiatives (Huang et al., 2023).
• Electrode modification for residue detection: Utilized in the detection of residual 2-Phenylphenol on lemon rind, mesityl oxide served as a solvent in the electrochemical deposition of polymeric stackings, illustrating its utility in enhancing analytical methods in food safety (Kiss et al., 2022).
• Organic sensing media: Mesityl oxide was a key solvent in the anodic polymerization process for sensing phenols, indicating its effective use in the development of sensing layers for environmental monitoring (Kiss et al., 2022).
• Pharmaceutical product quality control: Mesityl oxide is instrumental in the determination of acetone and related impurities in drug product intermediates, showing its critical role in ensuring pharmaceutical quality and compliance (Quirk et al., 2014).

Analysis Note

Assay isomers (GC, area%): ≥ 97.0 % (a/a)
a-Mesityl oxide (GC, area%): ≥ 85.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.853 - 0.856
Identity (IR): passes test

Safety Information

• pictograms: GHS02,GHS06
• signalword: Danger
• pcodes: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Inhalation - Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk: WGK 1
• flash_point_f: 87.8 °F - closed cup
• flash_point_c: 31 °C - closed cup
• hcodes: H226,H302 + H312,H315,H319,H331,H335