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Sigma-Aldrich

2-Methyl-3-heptanone

99%

Synonym(s):

Butyl isopropyl ketone

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About This Item

Linear Formula:
CH3(CH2)3COCH(CH3)2
CAS Number:
13019-20-0
Molecular Weight:
128.21
EC Number:
235-877-0
MDL number:
MFCD00009481
UNSPSC Code:
12352100
PubChem Substance ID:
24846595
NACRES:
NA.22

assay

99%

refractive index

n20/D 1.411 (lit.)

bp

158-160 °C (lit.)

density

0.816 g/mL at 25 °C (lit.)

SMILES string

CCCCC(=O)C(C)C

InChI

1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3

InChI key

XYYMFUCZDNNGFS-UHFFFAOYSA-N

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General description

2-Methyl-3-heptanone is a colorless to light yellow liquid. It is one of the trace taste- and odor-causing organic compounds present in natural water.

Application

2-Methyl-3-heptanone was used as an internal standard in dynamic headspace sampling, direct solvent extraction and vacuum simultaneous steam distillation–solvent extraction for sample preparation in volatile compound analysis in Thai soy sauce. It was used as an internal standard in the identification of volatile flavor compounds of stored nonfat dry milk using gas chromatography-olfactometry and aroma extract dilution analysis.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

109.4 °F - closed cup

flash_point_c

43 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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