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Sigma-Aldrich

2-Methyl-3-heptanone

99%

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

Quality Level

100

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

Signal Word

Warning

Hazard Statements

H226 - H315 - H319 - H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

109.4 °F - closed cup

Flash Point(C)

43 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Determination of trace levels of taste and odor compounds in water by microextraction and gas chromatography-ion-trap detection-mass spectrometry.
Bao ML, et al.
Water Research, 31(7), 1719-1727 (1997)
Raffaele Sacchi et al.
Molecules (Basel, Switzerland), 25(6) (2020-03-19)
This paper aimed to assess the effects of feeding fresh forage on volatile organic compounds (VOCs) of buffalo milk and mozzarella cheese. Sixteen lactating buffaloes were equally allotted into two groups fed diets containing (experimental (Exp) group) or not (control
Alessandro Genovese et al.
Molecules (Basel, Switzerland), 24(8) (2019-04-27)
Seed inoculation of forage crops by arbuscular mycorrhizal fungi (AMF) generally results in higher profitability, but also modifies the chemical composition of silage in terms of increased biomass, protein, and dry matter. Raw milk aroma is affected by the type
F Serrapica et al.
Journal of dairy science, 103(2), 1391-1403 (2019-12-02)
The aim of this study was to determine the effect of the forage preservation method (silage vs. hay) on volatile compounds and sensory properties of a traditional Caciocavallo cheese during ripening. A brown-midrib sudangrass hybrid was cultivated on a 7-ha
Dong Han et al.
Molecules (Basel, Switzerland), 24(7) (2019-04-12)
The primary aim of this study was to investigate volatile constituents for the differentiation of Chinese marinated pork hocks from four local brands, Dahongmen (DHM), Daoxiangcun (DXC), Henghuitong (HHT) and Tianfuhao (TFH). To this end the volatile constituents were evaluated
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