50409

Thymol

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

• Synonym(s): 2-Isopropyl-5-methylphenol, 5-Methyl-2-(1-methylethyl)phenol, 5-Methyl-2-isopropylphenol, IPMP
• Linear Formula: 2-[(CH₃)₂CH]C₆H₃-5-(CH₃)OH
• CAS Number: 89-83-8
• Molecular Weight: 150.22
• Beilstein/REAXYS Number: 1907135
• EC Number: 201-944-8
• MDL number: MFCD00002309
• UNSPSC Code: 12142201
• PubChem Substance ID: 329757598
• NACRES: NA.24

Properties

• grade: Standard for quantitative NMR; certified reference material
• Quality Level: 300
• vapor pressure: 1 mmHg ( 64 °C)
• description: qNMR Standard
• product line: TraceCERT^®
• shelf life: limited shelf life, expiry date on the label
• manufacturer/tradename: Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
• technique(s): LC/MS: suitable; qNMR: suitable
• bp: 232 °C (lit.)
• mp: 48-51 °C (lit.)
• density: 0.965 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: CC(C)c1ccc(C)cc1O
• InChI: 1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
• InChI key: MGSRCZKZVOBKFT-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.

Check out our entire range of quantitative NMR standards (qNMR standards)

Thymol, a phenolic monoterpene derivative of cymene and an isomer of carvacrol, is a common constituent of the essential oils, derived from Thymus and Origanum plants. It is a flavoring compound and its content is directly proportional to the characteristic flavor and quality of thyme and ajwain essential oils. Thymol finds a variety of applications in pharmaceuticals, cosmetics, and the food industry.

application

Thymol has been used as certified reference material for the quantification of the analyte in essential oil from the leaves of Mentha longifolia Huds. (Lamiaceae) and Mentha spicata L. (Lamiaceae) using gas chromatography coupled to mass spectrometry (GC-MS).

Other Notes

This compound is commonly found in plants of the genus: ginkgo thymus

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Legal Information

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

Safety Information

• pictograms: GHS05,GHS07,GHS09
• signalword: Danger
• hcodes: H302,H314,H411
• pcodes: P260 - P273 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 8B - Non-combustible corrosive hazardous materials
• wgk_germany: WGK 2
• flash_point_f: 240.8 °F - closed cup
• flash_point_c: 116 °C - closed cup