02473

Supelco

2-Hexanone

analytical standard

Synonym(s):
Butyl methyl ketone
Linear Formula:
CH3(CH2)3COCH3
CAS Number:
Molecular Weight:
100.16
Beilstein/REAXYS Number:
1737676
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

Quality Level

grade

analytical standard

vapor pressure

10 mmHg ( 39 °C)

assay

≥99.5% (GC)

shelf life

limited shelf life, expiry date on the label

application(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.)

Featured Industry

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.

Signal Word

Danger

Precautionary Statements

Target Organs

Central nervous system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all

WGK Germany

WGK 1

Flash Point(F)

73.4 °F - closed cup

Flash Point(C)

23 °C - closed cup

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)
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)
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.
P Manini et al.
Rapid communications in mass spectrometry : RCM, 12(21), 1615-1624 (1998-11-10)
A liquid chromatography atmospheric pressure electrospray mass spectrometry (ESI-LC/MS) system was evaluated for the identification and characterization of n-hexane conjugated metabolites (glucuronides) in untreated urine samples. Chromatography of glucuronides was obtained under ion-suppressed reversed-phase conditions, by using high-speed (3 cm...
Protocols
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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