W273104

4-Methyl-2-pentanone

≥99%, FCC

• Synonym(s): Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone
• Linear Formula: (CH₃)₂CHCH₂COCH₃
• CAS Number: 108-10-1
• Molecular Weight: 100.16
• FEMA Number: 2731
• Beilstein/REAXYS Number: 605399
• EC Number: 203-550-1
• Council of Europe no.: 151
• MDL number: MFCD00008938
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901295
• Flavis number: 7.017
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: Kosher
• agency: meets purity specifications of JECFA
• reg. compliance: FCC; FDA 21 CFR 117; FDA 21 CFR 172.515
• vapor density: 3.5 (vs air)
• assay: ≥99%
• form: liquid
• autoignition temp.: 840 °F
• expl. lim.: 1.2-8 %, 93 °F
• refractive index: n20/D 1.395 (lit.)
• bp: 117-118 °C
• mp: −80 °C (lit.)
• density: 0.801 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: ethereal; fruity; spicy
• SMILES string: CC(C)CC(C)=O
• InChI: 1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
• InChI key: NTIZESTWPVYFNL-UHFFFAOYSA-N

Description

General description

4-Methyl-2-pentanone has been identified in the volatile fraction of lemon essence, Italian chestnut and crabmeat.

Application

• Thermodynamic Analysis of Eplerenone in 13 Pure Solvents at Temperatures from 283.15 to 323.15 K.: This study provides a detailed analysis of the solubility behavior and thermodynamics of Eplerenone, offering valuable insights for its application in solvent selection and pharmaceutical formulation (Liu et al., 2024).


• Development and validation of a high-throughput headspace solid-phase microextraction gas chromatography-mass spectrometry methodology for target and suspect determination of honey volatiles.: This article presents a method for the analysis of volatile compounds in honey, where 4-Methyl-2-pentanone is used to enhance the detection of aroma compounds critical for quality control and authenticity assessments (Gialouris et al., 2023).
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Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H319,H332,H336,H351
• pcodes: P202 - P210 - P233 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Inhalation - Carc. 2 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• target_organs: Central nervous system
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 57.2 °F - closed cup
• flash_point_c: 14 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter