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471186

2-Pentanone

Name: 2-Pentanone
Brand: ALDRICH

spectrophotometric grade, ≥99%

Synonym(s):

Methyl propyl ketone

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About This Item

Linear Formula:

CH₃COCH₂CH₂CH₃

CAS Number:

107-87-9

Molecular Weight:

86.13

EC Number:

203-528-1

UNSPSC Code:

12190000

MDL number:

MFCD00009400

Beilstein/REAXYS Number:

506058

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Properties

grade

spectrophotometric grade

vapor pressure

27 mmHg ( 20 °C)

assay

≥99%

autoignition temp.

941 °F

expl. lim.

8.2 %

impurities

<0.050% water

evapn. residue

<0.0005%

refractive index

n20/D 1.39 (lit.)

bp

101-105 °C (lit.)

mp

−78 °C (lit.)

density

0.809 g/mL at 25 °C (lit.)

λ

H₂O reference

UV absorption

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

SMILES string

CCCC(C)=O

InChI

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

InChI key

XNLICIUVMPYHGG-UHFFFAOYSA-N

Description

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pictograms

GHS02,GHS07

signalword

Danger

hcodes

H225,H302,H319

pcodes

P210 - P233 - P240 - P241 - P301 + P312 - P305 + P351 + P338

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

46.4 °F - closed cup

flash_point_c

8 °C - closed cup

Regulatory Information

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Novel Methodology for Measuring Temperature-Dependent Henry's Constants of Flavor Molecules.

Shane Avison et al.

Journal of agricultural and food chemistry, 63(28), 6313-6318 (2015-06-23)

A new methodology is presented to measure water-air partition coefficients (Henry's constants) of volatiles, using APCI-MS. Significant advantages over other Henry's constant determination methods include the short measurement and sample preparation time and the possibility for simultaneous measurement of multiple

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

Giulia Caron et al.

Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in