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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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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
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
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
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)
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