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50409

Thymol

TraceCERT®, certified reference material, 1H-qNMR Standard, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Synonym(s):

2-Isopropyl-5-methylphenol, 5-Methyl-2-(1-methylethyl)phenol, 5-Methyl-2-isopropylphenol, IPMP

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About This Item

Linear Formula:
2-[(CH3)2CH]C6H3-5-(CH3)OH
CAS Number:
89-83-8
Molecular Weight:
150.22
UNSPSC Code:
12142201
NACRES:
NA.24
PubChem Substance ID:
329757598
EC Number:
201-944-8
Beilstein/REAXYS Number:
1907135
MDL number:
MFCD00002309
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grade

certified reference material

Quality Level

300

vapor pressure

1 mmHg ( 64 °C)

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

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

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.

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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

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

Legal Information

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

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Danger

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B

wgk

WGK 2

flash_point_f

240.8 °F - closed cup

flash_point_c

116 °C - closed cup

Storage Class

8A - Combustible corrosive hazardous materials

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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Chemical characterization, antimicrobial and antioxidant properties of Mentha spicata L.(Lamiaceae) essential oil
Niksic H, et al.
Bulletin of the Chemists and Technologists of Bosnia and Herzegovina, 43-48 (2018)
Seasonal variation in content and chemical composition of essential oils from leaves of Mentha longifolia Huds.(Lamiaceae)
Niksic H, et al.
Bulletin of the Chemists and Technologists of Bosnia and Herzegovina, 43, 29-34 (2014)
J D Evans et al.
Current microbiology, 41(5), 336-340 (2000-10-03)
Thymol (5-methyl-2-isopropylphenol) is a phenolic compound that is used to inhibit oral bacteria. Because little is known regarding the effects of this compound on ruminal microorganisms, the objective of this study was to determine the effects of thymol on growth
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