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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

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Silvina G Fadda et al.
Journal of agricultural and food chemistry, 50(9), 2471-2474 (2002-04-18)
Methyl ketones are detected in dry fermented sausages in which they contribute to the cured aroma. They have been associated with the inoculation of Staphylococcus carnosus used as starter culture. To evaluate the ability of bacterial starters to produce methyl
Sandra van den Velde et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 853(1-2), 54-61 (2007-04-10)
Halitosis can have an intra- or extra-oral origin. In all cases, bad breath is caused by the presence of volatile organic compounds originating from the mouth or the expired air. They can be specific for certain diseases or infections. This
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
Jenny Pettersson et al.
Biological & pharmaceutical bulletin, 31(3), 534-537 (2008-03-04)
Many phytochemicals found in the diet may prevent colon carcinogenesis by affecting biochemical processes in the colonic mucosa. Inflammation and subsequent elevation of the enzyme cyclooxygenase-2 (COX-2) are two such factors involved in the development of colon cancer, and inhibition
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.
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