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10904

Sigma-Aldrich

3-Chloro-2-butanone

produced by Wacker Chemie AG, Burghausen, Germany, ≥96.0% (GC)

Synonym(s):

Chloro-MEK

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About This Item

Linear Formula:
CH3CHClCOCH3
CAS Number:
4091-39-8
Molecular Weight:
106.55
Beilstein:
385637
EC Number:
223-834-9
MDL number:
MFCD00000865
UNSPSC Code:
12352100
PubChem Substance ID:
57646838
NACRES:
NA.22

grade

produced by Wacker Chemie AG, Burghausen, Germany

Assay

≥96.0% (GC)

refractive index

n20/D 1.421 (lit.)

bp

114-117 °C (lit.)

density

1.055 g/mL at 25 °C (lit.)

SMILES string

CC(Cl)C(C)=O

InChI

1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3

InChI key

OIMRLHCSLQUXLL-UHFFFAOYSA-N

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General description

3-Chloro-2-butanone when treated with aq. sodium thiocyanate forms 3-thiocyano-2-butanone.

Application

3-Chloro-2-butanone was used to study various carbonylic compounds as substrates for 4-hydroxyacetophenone monooxygenase from Pseudomonas fluorescens ACB.

Other Notes

prices for bulk quantities on request

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

82.4 °F - closed cup

Flash Point(C)

28 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

10904-25KG:
10904-BULK:
10904-VAR:
10904-1KG:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG2984
BCCG1288
BCCF3347
BCCC7356
BCCB9715

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Reactions of 3-Thiocyano-2-butanone. I. The Preparation of 2-Substituted-4, 5-dimethylthiazoles.
Gregory JT and Mathes RA.
Journal of the American Chemical Society, 74(7), 1719-1720 (1952)
Nanne M Kamerbeek et al.
Applied and environmental microbiology, 69(1), 419-426 (2003-01-07)
The 4-hydroxyacetophenone monooxygenase (HAPMO) from Pseudomonas fluorescens ACB catalyzes NADPH- and oxygen-dependent Baeyer-Villiger oxidation of 4-hydroxyacetophenone to the corresponding acetate ester. Using the purified enzyme from recombinant Escherichia coli, we found that a broad range of carbonylic compounds that are

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