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49722

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:
Molecular Weight:
98.14
Beilstein:
1361550
EC Number:
MDL number:
UNSPSC Code:
85151701
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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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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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Pictograms

FlameSkull and crossbones

Signal Word

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 Code

3 - Flammable liquids

WGK

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)

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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)
Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats.
Machiels D, et al.
Talanta, 60(4), 755-764 (2003)
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)
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)
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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