Benzoic acid
SIAL/06185 - Standard for quantitative NMR, TraceCERT®
CAS Number: 65-85-0
Empirical Formula (Hill Notation): C7H6O2
Molecular Weight: 122.12
EC Number: 200-618-2
MDL Number: MFCD00002398
Linear Formula: C6H5COOH
Product Type: Chemical
application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
autoignition temp. | 1061 °F |
bp | 249 °C (lit.) |
description | qNMR Standard for organic solvents (8.2-7.4 ppm) |
form | crystalline |
format | neat |
grade | TraceCERT® |
certified reference material | |
Standard for quantitative NMR | |
InChI | 1S/C7H6O2/c8-7(9)6-4-2-1- |
InChI key | WPYMKLBDIGXBTP-UHFFFAOYSA |
mp | 121-125 °C (lit.) |
Quality Level | 300 ![]() |
shelf life | limited shelf life, expiry date on the label |
SMILES string | OC(=O)c1ccccc1 |
technique(s) | gas chromatography (GC): suitable |
qNMR: suitable | |
vapor density | 4.21 (vs air) |
vapor pressure | 10 mmHg ( 132 °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. |
General description: | This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. |
Legal Information: | TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC |
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 |
Symbol | ![]() ![]() |
Signal word | Danger |
Hazard statements | H315 - H318 - H372 |
Precautionary statements | P280 - P305 + P351 + P338 + P310 - P314 |
Hazard Codes | T,Xi |
Risk Statements | 38-41-48/23 |
Safety Statements | 26-39-45-63 |
WGK Germany | WGK 1 |
Flash Point(F) | 249.8 °F - closed cup |
Flash Point(C) | 121 °C - closed cup |
bp | 249 °C (lit.) |
mp | 121-125 °C (lit.) |
UNSPSC | 41116107 |