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Merck

02474

4-Methyl-2-pentanone

analytical standard

Sinónimos:

Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone

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Fórmula lineal:
(CH3)2CHCH2COCH3
Número CAS:
108-10-1
Peso molecular:
100.16
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329747441
EC Number:
203-550-1
Beilstein/REAXYS Number:
605399
MDL number:
MFCD00008938

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Nombre del producto

4-Methyl-2-pentanone, analytical standard

InChI key

NTIZESTWPVYFNL-UHFFFAOYSA-N

InChI

1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

SMILES string

CC(C)CC(C)=O

grade

analytical standard

vapor density

3.5 (vs air)

assay

≥99.7% (GC)

autoignition temp.

840 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

1.2-8 %, 93 °F

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.395 (lit.)
n20/D 1.396

bp

117-118 °C

mp

−80 °C (lit.)

density

0.801 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Categorías relacionadas

Application

MBK may have been used as internal standard in GC/MS analysis for determining off-flavors in milk extracted using solid-phase microextraction, mass spectrometry, and multivariate analysis (SPME-MS-MVA). 4-Methyl-2-pentanone may be used as an analytical reference standard for the quantification of the analyte in hydro-alcoholic matrices using high-performance liquid chromatography with diode array detection.

General description

4-Methyl-2-pentanone (Methyl isobutyl ketone (MBK)) is an organic solvent widely used in various industrial applications, and exists as a clear colorless liquid with a pleasant odor. It is occasionally found as a volatile component of urine making it a biological marker of occupational exposure to this solvent. It is used as is used as a solvent for gums, resins, paints, varnishes, lacquers, and nitrocellulose.

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.

signalword

Danger

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

Clase de almacenamiento

3 - Flammable liquids

wgk

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

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Certificados de análisis (COA)

Lot/Batch Number
BCCM4088
BCCL0335
BCCJ9692
BCCG8309
BCCG1536

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SPME-MS-MVA as an electronic nose for the study of off-flavors in milk.
Marsili RT
Journal of Agricultural and Food Chemistry, 47(2), 648-654 (1999)
HPLC-DAD analysis of ketones as their 2, 4-dinitrophenylhydrazones in Brazilian sugar-cane spirits and rum
Cardoso D, et al.
J. Food Compos. Anal., 16(5), 563-573 (2003)
Ginette Truchon et al.
Journal of occupational and environmental hygiene, 3(3), 137-143 (2006-02-09)
Compartmental and physiologically based toxicokinetic modeling coupled with Monte Carlo simulation were used to quantify the impact of biological variability (physiological, biochemical, and anatomic parameters) on the values of a series of bio-indicators of metal and organic industrial chemical exposures.
H J Shim et al.
Journal of chromatography. B, Biomedical applications, 656(2), 407-414 (1994-06-17)
A high-performance liquid chromatographic method was developed for the simultaneous determination of a new anthracycline, DA-125 (I), and its metabolites (M1, M2, M3, and M4) in rat plasma and urine using fluorescein as an internal standard. Compound I, a prodrug
Kieron J Doick et al.
Environmental science & technology, 39(17), 6575-6583 (2005-09-30)
Organic matter is considered to be the single most importantfactor limiting availability and mobility of persistent organic pollutants (POPs) in soil. This study aimed to characterize the distribution of 14C-PCB (congeners 28 and 52) and 14C-PAH (fluoranthene and benzo[a]pyrene) residues
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