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Merck

8.21902

3-Methylbenzoic acid

for synthesis

Synonym(s):

3-Methylbenzoic acid, m-Toluic acid

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About This Item

Linear Formula:
3-(CH3)C6H4COOH
CAS Number:
Molecular Weight:
136.15
UNSPSC Code:
12352106
EC Index Number:
202-723-9
NACRES:
NA.22
MDL number:
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Product Name

3-Methylbenzoic acid, for synthesis

SMILES string

OC(=O)c1cc(ccc1)C

InChI

1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)

InChI key

GPSDUZXPYCFOSQ-UHFFFAOYSA-N

assay

≥98.0% (HPLC)

form

solid

autoignition temp.

500 °C

potency

7000 mg/kg LD50, oral (Rat)

pH

3.4 (20 °C in H2O, saturated solution)

bp

263 °C/1013 hPa

mp

108-111 °C

transition temp

flash point 150 °C

solubility

1 g/L

bulk density

500 kg/m3

storage temp.

2-30°C

Quality Level

Related Categories

Analysis Note

Assay (HPLC, area%): ≥ 98.0 % (a/a)
Melting range (lower value): ≥ 110 °C
Melting range (upper value): ≤ 113 °C
Identity (IR): passes test

Application

  • Laccase-mediated Oligomerization: Explores the enzymatic oligomerization of 4-hydroxybenzoic acid which could lead to new materials with improved stability and functionality, useful in material science and drug delivery systems (Slagman et al., 2016).

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

302.0 °F

flash_point_c

150 °C


Certificates of Analysis (COA)

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Global Trade Item Number

SKUGTIN
8.21902.025004022536480138
8.21902.100004022536480145

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