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471194

Sigma-Aldrich

2-Pentanone

suitable for HPLC, 99.5%

Synonym(s):

Methyl propyl ketone

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About This Item

Linear Formula:
CH3COCH2CH2CH3
CAS Number:
107-87-9
Molecular Weight:
86.13
Beilstein:
506058
EC Number:
203-528-1
MDL number:
MFCD00009400
UNSPSC Code:
12190000
PubChem Substance ID:
329757291
NACRES:
NA.21

vapor pressure

27 mmHg ( 20 °C)

Assay

99.5%

form

liquid

autoignition temp.

941 °F

expl. lim.

8.2 %

technique(s)

HPLC: suitable

impurities

<0.050% water

evapn. residue

<0.0003%

refractive index

n20/D 1.39 (lit.)

bp

101-105 °C (lit.)

mp

−78 °C (lit.)

solubility

water: 72.6 g/L at 20 °C (OECD Test Guideline 105)

density

0.809 g/mL at 25 °C (lit.)

λ

H2O reference

UV absorption

λ: 330 nm Amax: 1.00
λ: 340 nm Amax: 0.10
λ: 350 nm Amax: 0.01
λ: 370-400 nm Amax: 0.005

application(s)

food and beverages

SMILES string

CCCC(C)=O

InChI

1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3

InChI key

XNLICIUVMPYHGG-UHFFFAOYSA-N

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Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

46.4 °F - closed cup

Flash Point(C)

8 °C - closed cup

Certificates of Analysis (COA)

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Yosuke Hanai et al.
Bioscience, biotechnology, and biochemistry, 76(4), 679-684 (2012-04-10)
Lung cancer is a leading cause of deaths in cancer. Hence, developing early-stage diagnostic tests that are non-invasive, highly sensitive, and specific is crucial. In this study, we investigated to determine whether biomarkers derived from urinary volatile organic compounds (VOCs)
S Fadda et al.
FEMS microbiology letters, 210(2), 209-214 (2002-06-05)
Staphylococcus carnosus strain 833, inoculated into sausage, increased the levels of methyl ketones which contributed to the cured aroma. These ketones were predicted to arise from incomplete beta-oxidation followed by a decarboxylation. To check this hypothesis, we measured the beta-decarboxylase
Yasuhisa Asano et al.
Bioscience, biotechnology, and biochemistry, 69(12), 2349-2357 (2005-12-27)
We established a simple HPLC method to determine the activity and stereochemistry of the chiral mandelonitrile synthesized from benzaldehyde and cyanide, and applied it to screen for hydroxynitrile lyase (HNL) activity of plant origin. A total of 163 species of
Linus Olofsson et al.
Organic & biomolecular chemistry, 3(5), 750-755 (2005-02-26)
The enantioselective reduction of 2-pentanone to (R)- and (S)-2-pentanol by Thermoanaerobacter (formerly Thermoanaerobium) brockii alcohol dehydrogenase (TBADH) in mixtures of water and water-miscible organic solvents was investigated. Significant enzymatic activity was retained in up to 87% methanol, ethanol and acetonitrile.
J M Mathews et al.
Toxicology and applied pharmacology, 146(2), 255-260 (1997-11-05)
The effect of trans-1,2-dichloroethylene (DCE), an inhibitor of cytochrome P450 (P450) 2E1 (CYP2E1), on the composition and quantity of volatile organic chemicals (VOCs) expired in the breath of male F-344 rats was determined in parallel with hepatic P450 activity and
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