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Merck
CN

35998

2,4,6-Trimethylphenol

PESTANAL®, analytical standard

Synonym(s):

Mesitol

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About This Item

Linear Formula:
(CH3)3C6H2OH
CAS Number:
527-60-6
Molecular Weight:
136.19
EC Number:
208-419-2
UNSPSC Code:
41116107
PubChem Substance ID:
329755248
Beilstein/REAXYS Number:
1859675
MDL number:
MFCD00002235

Key Documents

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grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

220 °C (lit.)

mp

70-72 °C (lit.), 71-74 °C (lit.)

application(s)

agriculture
cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

Cc1cc(C)c(O)c(C)c1

InChI

1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3

InChI key

BPRYUXCVCCNUFE-UHFFFAOYSA-N

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

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

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Danger

Hazard Classifications

Aquatic Chronic 2 - Eye Dam. 1 - Skin Irrit. 2 - STOT RE 2 Oral - STOT SE 3

target_organs

Respiratory system, Stomach

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

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Cynthia D Selassie et al.
Journal of medicinal chemistry, 48(23), 7234-7242 (2005-11-11)
In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspase activity by 50% (I50) and utilized these data to develop the following

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