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Merck
CN

97865

1,3-Diethylbenzene

≥98.0% (GC)

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About This Item

Empirical Formula (Hill Notation):
C10H14
CAS Number:
141-93-5
Molecular Weight:
134.22
UNSPSC Code:
12352100
NACRES:
NA.21
PubChem Substance ID:
329770551
EC Number:
205-511-4
Beilstein/REAXYS Number:
1903394
MDL number:
MFCD00009260

Key Documents

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Product Name

1,3-Diethylbenzene, ≥98.0% (GC)

InChI key

AFZZYIJIWUTJFO-UHFFFAOYSA-N

InChI

1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3

SMILES string

CCc1cccc(CC)c1

assay

≥98.0% (GC)

form

liquid

refractive index

n20/D 1.496

density

0.864 g/mL at 20 °C (lit.)

Quality Level

100

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Application

1,3-Diethylbenzene may be used as an analytical reference standard for the analysis of 1,3-diethylbenzene in:
  • White spirit samples and Chinese crude oils by comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC x GC TOFMS) operating on electron impact (EI) mode.
  • Outdoor air samples by sampling on adsorbent tubes followed by determination using thermal desorption (TD) combined with GC-MS.
  • Virgin olive oils by GC in combination with ion trap EI-MS.
  • Atmospheric air samples by GC x GC TOFMS and field olfactometry techniques.

General description

1,3-Diethylbenzenes are aromatic hydrocarbons that are classified under the class of volatile organic compounds (VOCs).

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

WGK 3

flash_point_f

123.8 °F - closed cup

flash_point_c

51 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN6580
BCBZ6270
BCBT8967

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Determination of odour concentration by TD-GC x GC-TOF-MS and field olfactometry techniques.
Bylinski H, et al.
Monatshefte fur Chemie / Chemical Monthly, 148(9), 1651-1659 (2017)
Kanji Yamasaki et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 50(8), 2635-2642 (2012-05-31)
The purpose of this study was to investigate the endocrine-mediated effects of the benzene-related compounds with reference to Organization for Economic Co-operation and Development (OECD) Test Guideline No. 407. Rats were orally gavaged with 0, 10, 50, and 250 mg/kg/day
New approach to resolve the humidity problem in VOC determination in outdoor air samples using solid adsorbent tubes followed by TD-GC-MS.
Maceira A, et al.
The Science of the Total Environment, 599, 1718-1727 (2017)
Ratios of low molecular weight alkylbenzenes (C0-C4) in Chinese crude oils as indicators of maturity and depositional environment.
Cheng B, et al.
Organic Geochemistry, 88, 78-90 (2015)
Prospective application of melanized fungi for the biofiltration of indoor air in closed bioregenerative systems.
Prenafeta-Boldu FX, et al.
Journal of Hazardous Materials, 361, 1-9 (2019)
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