20270

Sigma-Aldrich

2-Hexanone

purum, ≥96.0% (GC)

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:

vapor pressure

10 mmHg ( 39 °C)

grade

purum

assay

≥96.0% (GC)

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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Related Categories

Signal Word

Danger

Hazard Statements

Precautionary Statements

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

1

Flash Point(F)

73.4 °F

Flash Point(C)

23 °C

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)
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...
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.

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