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Merck
CN

345121

3-Pentanone

ReagentPlus®, ≥99%

Synonym(s):

Diethyl ketone

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About This Item

Linear Formula:
CH3CH2COCH2CH3
CAS Number:
96-22-0
Molecular Weight:
86.13
EC Number:
202-490-3
UNSPSC Code:
12352115
PubChem Substance ID:
57649235
Beilstein/REAXYS Number:
635749
MDL number:
MFCD00009320
Assay:
≥99%
Bp:
101.5 °C (lit.)
Vapor pressure:
20 mmHg ( 28 °C)
28.1 mmHg ( 20 °C)

Key Documents

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Product Name

3-Pentanone, ReagentPlus®, ≥99%

InChI key

FDPIMTJIUBPUKL-UHFFFAOYSA-N

InChI

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

SMILES string

CCC(=O)CC

vapor density

3 (vs air)

vapor pressure

20 mmHg ( 28 °C)
28.1 mmHg ( 20 °C)

product line

ReagentPlus®

assay

≥99%

form

liquid

autoignition temp.

845 °F

expl. lim.

0.34-6.3 %

dilution

(for general lab use)

refractive index

n20/D 1.392 (lit.)

pH

6.2 (20 °C, 50 g/L)

bp

101.5 °C (lit.)

mp

−42 °C (lit.)

solubility

water: slightly soluble

density

0.813 g/mL at 25 °C (lit.)

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Other Notes

A -D suffix exists for administrative purposes only.
All -D packages are 100% the same product, same quality, same specification as the package sizes previously sold without a -D.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system, Respiratory system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

44.6 °F

flash_point_c

7 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBK1984
STBJ8579
STBJ5889
STBH2450
STBJ1140

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S Kölliker et al.
Analytical chemistry, 70(9), 1979-1985 (1998-05-01)
Ion trap multiple fragmentation mass spectrometry (MS(n)()) combined with high-performance liquid chromatography (HPLC) has been used for the structure elucidation and identification of 2,4-dinitrophenylhydrazone derivatives of carbonyl compounds in ambient air samples. Atmospheric pressure chemical ionization in the negative ion
Jon D Koch et al.
Applied optics, 43(31), 5901-5910 (2004-11-16)
We measured fluorescence quantum yields of acetone and 3-pentanone as a pure gas and with nitrogen diluent at room temperature at 20, 507, and 1013 mbar using 248, 266, and 308 nm excitation by calibrating the optical collection system with
Temperature and excitation wavelength dependencies of 3-pentanone absorption and fluorescence for PLIF applications.
Koch JD and Hanson RK.
Applied Physics B: Lasers and Optics, 76(3), 319-324 (2003)
Role of HMPT and TMEDA in control of enolate stereochemistry for reactions of lithium amides with 3-pentanone.
Fataftah ZA, et al.
Journal of the American Chemical Society, 102(11), 3959-3960 (1980)
An electron-diffraction investigation of the molecular structures of acetone, 2-butanone, and 3-pentanone.
Romers C and Creutzberg JEG.
Rec. Trav. Chim., 75(3), 331-345 (1956)
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