Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

Safety Information

59600

Sigma-Aldrich

3-Methyl-2-butanone

puriss., ≥98.5% (GC)

Synonym(s):

Isopropyl methyl ketone, Methyl isopropyl ketone

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
(CH3)2CHCOCH3
CAS Number:
563-80-4
Molecular Weight:
86.13
Beilstein:
1071238
EC Number:
209-264-3
MDL number:
MFCD00008919
UNSPSC Code:
12352115
PubChem Substance ID:
329758686
NACRES:
NA.21
Assay:
≥98.5% (GC)
bp:
94-95 °C (lit.)

grade

puriss.

Assay

≥98.5% (GC)

form

liquid

expl. lim.

0.34-6.3 %

refractive index

n20/D 1.388 (lit.)
n20/D 1.388

bp

94-95 °C (lit.)

mp

−92 °C (lit.)

solubility

water: soluble(lit.)

density

0.805 g/mL at 25 °C (lit.)

SMILES string

CC(C)C(C)=O

InChI

1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3

InChI key

SYBYTAAJFKOIEJ-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Application

3-Methyl-2-butanone (Isopropyl methyl ketone, Methyl isopropyl ketone) may be used for the asymmetric synthesis of (R)-3-methyl-2-butanol by Wool-Pd complex catalyzed hydrogenation reaction.

Pictograms

Flame
GHS02

Signal Word

Danger

Hazard Statements

H225

Hazard Classifications

Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

30.2 °F

Flash Point(C)

-1 °C

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

59600-VAR:
59600-100ML:4548174019825
59600-1L:4548174019832
59600-BULK:
59600-500ML:

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Sorry, we don't have COAs for this product available online at this time.

If you need assistance, please contact Customer Support.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Wiley-VCH.
Ullmann's Fine Chemicals (2014)
Isothermal vapour-liquid equilibria in the binary and ternary systems composed of 2-propanol, 3-methyl-2-butanone and 2, 2, 4-trimethylpentane.
Psutka S and Wichterle I.
Fluid Phase Equilibria, 264(1), 55-61 (2008)
Vapor-liquid equilibria of binary and ternary mixtures of cyclohexane, 3-methyl-2-butanone, and octane at 101.3 kPa.
Chen CC, et al.
Journal of Chemical and Engineering Data, 41(3), 557-561 (1996)
Catalytic behavior of a Wool-Pd complex in asymmetric hydrogenation of diacetone alcohol and 3-methyl-2-butanone.
Yin MO, et al.
J. Mol. Catal. A: Chem., 147(1), 89-92 (1999)
Sebastian Heger et al.
The Science of the total environment, 764, 142902-142902 (2021-03-25)
To avoid potential risks of biofuels on the environment and human, ecotoxicity investigation should be integrated into the early design stage for promising biofuel candidates. In the present study, a green toxicology testing strategy combining experimental bioassays with in silico
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service