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02473

Supelco

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
Beilstein/REAXYS Number:
1737676
EC Number:
209-731-1
MDL number:
MFCD00009482
UNSPSC Code:
41116107
PubChem Substance ID:
329747440
NACRES:
NA.24

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 (lit.)
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

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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.

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

wgk_germany

WGK 1

flash_point_f

73.4 °F

flash_point_c

23 °C

ppe

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

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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
T.S.S. Dikshith
Handbook of Chemicals and Safety, 19-Apr, 228-228 (2016)
Takaya Hoshikawa et al.
Chemical & pharmaceutical bulletin, 60(4), 548-553 (2012-04-03)
Intramolecular [2+2] cycloaddition of γ,δ-unsaturated ketenes derived from hex-5-enoyl chloride derivatives gave bicyclo[2.1.1]hexan-5-ones with complete regioselectivity.
Walter F Schmidt et al.
Chemistry and physics of lipids, 142(1-2), 23-32 (2006-04-18)
Stearic acid (SA) is highly soluble in structurally diverse solvents. SA/solvent packing within a (24.8 A)3 cubic volume explains the stoichiometry of SA solubility at multiple temperatures in multiple solvents. In the absence of solvent, the cubic volume contains 25
S J Borghoff et al.
Toxicology, 258(2-3), 131-138 (2009-05-12)
Male F-344 rats were administered corn oil (vehicle control), d-limonene (positive control, 300mg/kg), or MIBK (1000mg/kg) and female F-344 rats corn oil (vehicle control) or MIBK for 10 consecutive days by oral gavage. Approximately 24h after the final dose the
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Protocols

US EPA Method 8260: GC Analysis of Volatiles on SPB®-624 after Purge & Trap using "K" Trap, Fast GC Analysis

US EPA Method 8260 describes the analysis of volatile organic compounds in solid wastes and ground waters. This application illustrates the analysis of many compounds commonly analyzed by this method using purge and trap coupled to GC-MS.

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