06185

Benzoic acid

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

• Linear Formula: C₆H₅COOH
• CAS Number: 65-85-0
• Molecular Weight: 122.12
• Beilstein: 636131
• EC Number: 200-618-2
• MDL number: MFCD00002398
• UNSPSC Code: 41116107
• PubChem Substance ID: 329748216
• E Number: E210
• NACRES: NA.24

Properties

• grade: Standard for quantitative NMR; certified reference material; TraceCERT^®
• Quality Level: 300
• 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

Description

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.

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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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Legal Information

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

Safety Information

• Pictograms: GHS05,GHS08
• Signal Word: Danger
• Hazard Statements: H315 - H318 - H372
• Precautionary Statements: P260 - P264 - P280 - P302 + P352 - P305 + P351 + P338 - P314
• 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