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74658

1,2,4,5-Tetramethylbenzene

TraceCERT®, certified reference material, 1H-qNMR Standard

Synonym(s):

Durene, 1,2,4,5-Tetramethylbenzene

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About This Item

Linear Formula:
C6H2(CH3)4
CAS Number:
95-93-2
Molecular Weight:
134.22
NACRES:
NA.24
PubChem Substance ID:
329765774
eCl@ss:
39011404
UNSPSC Code:
41116107
EC Number:
202-465-7
MDL number:
MFCD00008528
Beilstein/REAXYS Number:
1903393
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Quality Level

300

vapor density

4.6 (vs air)

vapor pressure

160 mmHg ( 140 °C)

description

qNMR Standard for organic solvents (6.9 ppm / 2.2 ppm)

grade

certified reference material, TraceCERT®

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

gas chromatography (GC): suitable

mp

76-80 °C (lit.)

density

0.838 g/mL at 25 °C (lit.)

application(s)

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

format

neat

SMILES string

Cc1cc(C)c(C)cc1C

InChI

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

InChI key

SQNZJJAZBFDUTD-UHFFFAOYSA-N

General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

Check out our entire range of quantitative NMR standards (qNMR standards)
This certified reference material (CRM) is produced in accordance with ISO 17034 and characterized in accordance with ISO/IEC 17025. This CRM is traceable to SI unit kg and measured against primary material from a National Metrology Institute (NMI), e.g. NIST.

Please visit ISO certificates and Site Quality Self-Assessments to access the current certificates of accreditation.

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Other Notes

Chemcial Shift: 2.3 + 7.0 ppm (chemical shifts may slightly vary depending on the experimental conditions)
Suitable NMR solvents: CDCl3
Find a digital Reference Material for this product availableon our online platform ChemisTwin® for NMR. You can use thisdigital equivalent on ChemisTwin® for your sample identityconfirmation and compound quantification (with digital external standard). AnNMR spectrum of this substance can be viewed and an online comparison againstyour sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

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pictograms

FlameEnvironment
GHS02,GHS09

signalword

Danger

hcodes

H228,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Sol. 1

Storage Class

4.1B - Flammable solid hazardous materials

wgk

WGK 1

flash_point_f

165.2 °F - closed cup

flash_point_c

74 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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D Reichert et al.
Solid state nuclear magnetic resonance, 13(3), 137-148 (1999-02-19)
One- (1-D) and two-dimensional (2-D) carbon-13 NMR exchange measurements in powder samples of isotopically normal durene under magic angle spinning (MAS) are reported. The experiments include rotor synchronized 2-D exchange (RS2DE), 1-D magnetization transfer (MT) and time reverse ODESSA (tr-ODESSA).
Elin Rönnberg et al.
Immunology, 143(2), 155-163 (2014-04-03)
Staphylococcus aureus is a major pathogen that can cause a broad spectrum of serious infections including skin infections, pneumonia and sepsis. Peritoneal mast cells have been implicated in the host response towards various bacterial insults and to provide mechanistic insight
S David et al.
Journal of inorganic biochemistry, 28(2-3), 125-135 (1986-10-01)
Solution equilibria are presented for in situ reactions of the type FeII(porp) + B----FeII(porp)B, where porp represents the dianion of some durene-capped porphyrins with variable length linking methylene straps, and B is 1-methyl, 1,2-dimethyl, or 1,5-dicyclohexylimidazole. Increasing distortion of the
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