107948

Sigma-Aldrich

2-Methyl-3-hexanone

98%

Linear Formula:
CH3CH2CH2COCH(CH3)2
CAS Number:
Molecular Weight:
114.19
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

refractive index

n20/D 1.406 (lit.)

bp

131-132 °C (lit.)

density

0.825 g/mL at 25 °C (lit.)

SMILES string

CCCC(=O)C(C)C

InChI

1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3

InChI key

HIGGFWFRAWSMBR-UHFFFAOYSA-N

Related Categories

Application

2-Methyl-3-hexanone was used in a study to investigate the natural abundance distribution of 1H and 2H in in sedimentary organic matter.

Packaging

5 g in glass bottle

Pictograms

Flame

Signal Word

Warning

Hazard 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

WGK 3

Equilibrium 2H/1H fractionations in organic molecules: I. Experimental calibration of ab initio calculations.
Wang Y, et al.
Geochimica et Cosmochimica Acta, 73(23), 7060-7075 (2009)

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