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Thymol

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

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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:
1907135
EC Number:
201-944-8
MDL number:
MFCD00002309
UNSPSC Code:
12142201
PubChem Substance ID:
329757598
NACRES:
NA.24

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

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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).

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Legal Information

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

Signal Word

Danger

Hazard Statements

H302,H314,H411

Hazard Classifications

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

WGK

WGK 2

Flash Point(F)

240.8 °F

Flash Point(C)

116 °C

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
Production of thymol rich extracts from ajwain (Carum copticum L.) and thyme (Thymus vulgaris L.) using supercritical CO2
Morsy NFS
Industrial Crops and Products, 145(5), 112072-112072 (2020)
Thymol, thyme, and other plant sources: Health and potential uses
Salehi B, et al.
Phytotherapy Research, 32(9), 1688-1706 (2018)
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