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Merck
CN

90046

3-Heptanone

analytical standard

Synonym(s):

Butyl ethyl ketone, Ethyl butyl ketone

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About This Item

Linear Formula:
CH3(CH2)3COC2H5
CAS Number:
106-35-4
Molecular Weight:
114.19
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329769832
EC Number:
203-388-1
Beilstein/REAXYS Number:
506161
MDL number:
MFCD00009483

Key Documents

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Product Name

3-Heptanone, analytical standard

InChI key

NGAZZOYFWWSOGK-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCC(=O)CC

grade

analytical standard

assay

≥98.5% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

≤0.3% water

refractive index

n20/D 1.408 (lit.)
n20/D 1.408-1.410

bp

146-149 °C (lit.)

mp

−39 °C (lit.)

density

0.818 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

100.4 °F - closed cup

flash_point_c

38 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCL4712
BCCH1065
BCCG4591
BCCB0352
BCBR9727V

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Paweł Mochalski et al.
Cell biochemistry and biophysics, 71(1), 323-329 (2014-08-16)
Gas chromatography with mass spectrometric detection combined with head-space needle trap extraction as the pre-concentration technique was applied to identify and quantify volatile organic compounds released or metabolised by human umbilical vein endothelial cells. Amongst the consumed species there were
Brian D Fitz et al.
Journal of chromatography. A, 1392, 82-90 (2015-03-31)
Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct vapor. An Agilent LTM equipped with a short microbore capillary column was operated at

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