49722

4-Methyl-3-penten-2-one

analytical standard

• Synonym(s): Mesityl oxide, 4-Methyl-3-penten-2-one
• Linear Formula: (CH₃)₂C=CHCOCH₃
• CAS Number: 141-79-7
• Molecular Weight: 98.14
• UNSPSC Code: 85151701
• NACRES: NA.24
• PubChem Substance ID: 329757511
• EC Number: 205-502-5
• Beilstein/REAXYS Number: 1361550
• MDL number: MFCD00008900

Properties

• Product Name: 4-Methyl-3-penten-2-one, analytical standard
• InChI key: SHOJXDKTYKFBRD-UHFFFAOYSA-N
• InChI: 1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
• SMILES string: C\C(C)=C\C(C)=O
• grade: analytical standard
• assay: ≥99.0% (GC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• impurities: ≤0.5% water
• refractive index: n20/D 1.440-1.446; n20/D 1.442 (lit.)
• bp: 130 °C (lit.)
• mp: -41.5 °C (lit.)
• density: 0.858 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• Quality Level: 100

Description

Application

4-Methyl-3-penten-2-one may be used as a reference standard for the determination of 4-methyl-3-penten-2-one in Irish beef meats by gas chromatography-olfactometry (GC-O),[1] in human urine by static headspace extraction followed by analysis using GC with mass spectrometry (MS),[2] in caja-umbu (Spondias sp.) fruits by GC-MS[3] and in wild gilthead sea bream (Sparus aurata) by simultaneous distillation-extraction (SDE) followed by analysis using GC with flame ionization detector (FID) as well as GC-MS.[4]

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

4-Methyl-3-penten-2-one belongs to the volatile organic compounds (VOCs) class of chemicals.[5]

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Safety Information

• pictograms: GHS02,GHS06
• signalword: Danger
• hcodes: H226,H302 + H312,H315,H319,H331,H335
• 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