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20270

Sigma-Aldrich

2-Hexanone

purum, ≥96.0% (GC)

Synonym(s):

Butyl methyl ketone

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About This Item

Linear Formula:
CH3(CH2)3COCH3
CAS Number:
Molecular Weight:
100.16
Beilstein/REAXYS Number:
1737676
EC Number:
MDL number:
UNSPSC Code:
12352115
PubChem Substance ID:

vapor pressure

10 mmHg ( 39 °C)

grade

purum

assay

≥96.0% (GC)

form

liquid

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.)

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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signalword

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_germany

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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Thermodynamic properties of binary mixtures of 2-hexanone withn-alkanes at 35? C.
Legido JL, et al.
Journal of Solution Chemistry, 19(11), 1095-1102 (1990)
Deuterium isotope effects in the photochemistry of 2-hexanone.
Coulson DR and Yang NC.
Journal of the American Chemical Society, 88(19), 4511-4513 (1966)
Determination of volatile organic compounds in exhaled breath by ion mobility spectrometry.
Ulanowska A, et al.
Chem. Anal. (Warsaw), 53(6), 953-965 (2008)
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
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

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