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Merck

02476

2-Heptanone

analytical standard

Sinónimos:

Methyl pentyl ketone

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Fórmula lineal:
CH3(CH2)4COCH3
Número CAS:
Peso molecular:
114.19
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
203-767-1
Beilstein/REAXYS Number:
1699063
MDL number:
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grade

analytical standard

Quality Level

vapor density

3.94 (vs air)

vapor pressure

2.14 mmHg ( 20 °C)

assay

≥99.0% (GC)

autoignition temp.

739 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

1.11 %, 65 °F, 7.9 %, 121 °F

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.408 (lit.), n20/D 1.409

bp

149-150 °C (lit.)

mp

−35 °C (lit.)

density

0.82 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

CCCCCC(C)=O

InChI

1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

InChI key

CATSNJVOTSVZJV-UHFFFAOYSA-N

General description

2-Heptanone is a volatile organic compound (VOC) that is generally present as an aroma active component in food products. It is also used extensively in semiconductor and electronics industries.

Application

2-Heptanone may be used as an analytical standard for the determination of the analyte in workplace air, odor active compound mixture, human biological samples, cheese samples, animal meat samples, and moldy building materials by various chromatography techniques.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.


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pictograms

FlameExclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3 - STOT SE 3

target_organs

Central nervous system

Clase de almacenamiento

3 - Flammable liquids

wgk

WGK 1

flash_point_f

105.8 °F - closed cup

flash_point_c

41 °C - closed cup

ppe

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



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David Machiels et al.
Talanta, 60(4), 755-764 (2008-10-31)
The volatile flavour compounds of two commercial Irish beef meats (labelled as conventional and organic) were evaluated by gas chromatography-olfactometry and were identified by gas chromatography-mass spectrometry. The volatile compounds were isolated in a model mouth system. Gas chromatography-olfactometry was
Monitoring of oxidative deterioration of milk powder by headspace gas chromatography
Ulberth, Franz and Roubicek, Dorothea
International dairy journal, 5(6), 523-531 (1995)
Michael Qian et al.
Journal of dairy science, 86(3), 770-776 (2003-04-22)
Potentially important aroma compounds in Parmigiano Reggiano cheese were quantified. Free fatty acids were isolated with ion-exchange chromatography and quantified by gas chromatography. Neutral aroma compounds were quantified with a purge-trap/gas chromatography-mass spectrometry with selective mass ion technique. Odor activity



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SKUGTIN
196886-5G04061832491561
02476-1ML04061838617347