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:
Assay:
≥98.0% (HPLC)
Form:
solid
Quality Level
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
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
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).
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
Melting range (lower value): ≥ 110 °C
Melting range (upper value): ≤ 113 °C
Identity (IR): passes test
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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