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Supelco

4-Methyl-3-penten-2-one

analytical standard

Synonym(s):

Mesityl oxide, 4-Methyl-3-penten-2-one

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About This Item

Linear Formula:
(CH3)2C=CHCOCH3
CAS Number:
141-79-7
Molecular Weight:
98.14
Beilstein/REAXYS Number:
1361550
EC Number:
205-502-5
MDL number:
MFCD00008900
UNSPSC Code:
85151701
PubChem Substance ID:
329757511

grade

analytical standard

Quality Level

100

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

SMILES string

C\C(C)=C\C(C)=O

InChI

1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

InChI key

SHOJXDKTYKFBRD-UHFFFAOYSA-N

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Related Categories

General description

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

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), in human urine by static headspace extraction followed by analysis using GC with mass spectrometry (MS), in caja-umbu (Spondias sp.) fruits by GC-MS 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.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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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.

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

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_germany

WGK 1

flash_point_f

87.8 °F - closed cup

flash_point_c

31 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number

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Volatile compounds captured through purge and trap technique in caja-umbu (Spondias sp.) fruits during maturation.
Narain N, et al.
Food Chemistry, 102(3), 726-731 (2007)
A comparative study of the analysis of human urine headspace using gas chromatography-mass spectrometry.
Smith S, et al.
Journal of Breath Research, 2(3), 037022-037022 (2008)
Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats.
Machiels D, et al.
Talanta, 60(4), 755-764 (2003)
Analysis of volatile compounds of wild gilthead sea bream (Sparus aurata) by simultaneous distillation-extraction (SDE) and GC-MS.
Selli S and Cayhan GG
Microchemical Journal, Devoted to the Application of Microtechniques in All Branches of Science, 93(2), 232-235 (2009)
L J Rose et al.
Current microbiology, 41(3), 206-209 (2000-07-29)
Volatile organic compounds from Penicillium viridicatum and Methylobacterium mesophilicum growing on laboratory media and on component materials of automobile air conditioners were analyzed with gas chromatography and mass spectrometry. P. viridicatum produced compounds such as 4-methyl thiazole, terpenes and alcohols

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