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107948

Sigma-Aldrich

2-Methyl-3-hexanone

98%

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About This Item

Linear Formula:
CH3CH2CH2COCH(CH3)2
CAS Number:
7379-12-6
Molecular Weight:
114.19
EC Number:
230-940-9
MDL number:
MFCD00009399
UNSPSC Code:
12352100
PubChem Substance ID:
24846789
NACRES:
NA.22

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

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[1].

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

75.2 °F - closed cup

flash_point_c

24 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
01012TH
10819HE
10122EE
14424KI
02604TM

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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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