20270
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:
1737676
EC Number:
MDL number:
UNSPSC Code:
12352115
PubChem Substance ID:
Recommended Products
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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Other Notes
This product has been replaced by 103004-Sigma-Aldrich | 2-Hexanone, reagent grade, 98% | CH3(CH2)3COCH3
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Flam. Liq. 3 - Repr. 2 - STOT RE 1 - STOT SE 3
Target Organs
Central nervous system
Storage Class Code
3 - Flammable liquids
WGK
WGK 1
Flash Point(F)
73.4 °F - closed cup
Flash Point(C)
23 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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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