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06185

Supelco

Benzoic acid

Standard for quantitative NMR, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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Linear Formula:
C6H5COOH
CAS Number:
Molecular Weight:
122.12
Beilstein:
636131
EC Number:
MDL number:
PubChem Substance ID:
E Number:
E210
NACRES:
NA.24

grade

Standard for quantitative NMR
certified reference material
TraceCERT®

Quality Level

vapor density

4.21 (vs air)

vapor pressure

10 mmHg ( 132 °C)

description

qNMR Standard for organic solvents (8.2-7.4 ppm)

form

crystalline

autoignition temp.

1061 °F

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
qNMR: suitable

bp

249 °C (lit.)

mp

121-125 °C (lit.)

application(s)

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

format

neat

SMILES string

OC(=O)c1ccccc1

InChI

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

InChI key

WPYMKLBDIGXBTP-UHFFFAOYSA-N

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technique(s)

gas chromatography (GC): suitable, qNMR: suitable

technique(s)

qNMR: suitable

technique(s)

gas chromatography (GC): suitable

technique(s)

gas chromatography (GC): suitable, qNMR: suitable

application(s)

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

application(s)

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

application(s)

food and beverages

application(s)

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

format

neat

format

neat

format

neat

format

neat

vapor density

4.21 (vs air)

vapor density

-

vapor density

-

vapor density

1.04 (vs air)

vapor pressure

10 mmHg ( 132 °C)

vapor pressure

-

vapor pressure

-

vapor pressure

1.15 mmHg ( 93 °C)

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 substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Other Notes

Chemical Shift: 7.4 - 8.2 ppm (chemical shifts may slightly vary depending on the experimental conditions)
suitable NMR solvents: MeOD, DMSO-d6

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Check out ChemisTwin, our brand new online portal for identity confirmation of NMR spectra. A feature for quantitative NMR is in development. Learn more or reach out to us for a free trial.

Legal Information

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

Pictograms

CorrosionHealth hazard

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation

Target Organs

Lungs

Storage Class Code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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