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02473

2-Hexanone

analytical standard

Synonym(s):

Butyl methyl ketone

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About This Item

Linear Formula:
CH3(CH2)3COCH3
CAS Number:
591-78-6
Molecular Weight:
100.16
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329747440
EC Number:
209-731-1
Beilstein/REAXYS Number:
1737676
MDL number:
MFCD00009482
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grade

analytical standard

Quality Level

100

vapor pressure

10 mmHg ( 39 °C)

assay

≥99.5% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.401

bp

127 °C (lit.)

mp

−57 °C (lit.)

density

0.812 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

SMILES string

CCCCC(C)=O

InChI

1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

InChI key

QQZOPKMRPOGIEB-UHFFFAOYSA-N

General description

2-Hexanone (MBK, 2-Oxohexane) is a volatile organic compound, that exists as a clear, colorless liquid with a sharp odor. It dissolves very easily in water, and can evaporate easily into the air as a vapor. It is occasionally found as a volatile component of normal human biofluids. It was used as an industrial hexacarbon solvent, but is no longer used or made owing to its neurotoxic nature leading to various human diseases.

Application

2-Hexanone may be used as an analytical standard for the determination of the analyte in biological samples, starch-based polymers, moldy building materials, and alcoholic matrices by various chromatography techniques.

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Danger

Hazard Classifications

Flam. Liq. 3 - Repr. 2 - STOT RE 1 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

73.4 °F - closed cup

flash_point_c

23 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCP3047
BCCN6728
BCCM6638
BCCK2983
BCCH1559

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T.S.S. Dikshith
Handbook of Chemicals and Safety, 19-Apr, 228-228 (2016)
E L White et al.
Biomedical mass spectrometry, 6(4), 169-172 (1979-04-01)
A quantitative method is reported for the determination of n-hexane, 2-hexanone and 2,5-hexanedione in biological tissues by stable isotope dilution using gas chromatography mass spectrometry. n-[2H14]Hexane, 2-[2H5]hexanone and 2,5-[2H10]hexanedione are used as the isotopic diluents. After tissue homogenization and extraction
Solid-phase extraction and subsequent gas chromatography-mass spectrometry analysis for identification of complex mixtures of degradation products in starch-based polymers
Hakkarainen M, et al.
Journal of Chromatography A, 741(2), 251-263 (1996)
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