89902
p-Toluic acid
purum, ≥98.0% (GC)
Synonym(s):
4-Methylbenzoic acid
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About This Item
Linear Formula:
CH3C6H4CO2H
CAS Number:
Molecular Weight:
136.15
EC Number:
202-803-3
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
507600
MDL number:
grade
purum
assay
≥98.0% (GC)
bp
274-275 °C (lit.)
mp
177-180 °C (lit.), 177-182 °C
SMILES string
Cc1ccc(cc1)C(O)=O
InChI
1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChI key
LPNBBFKOUUSUDB-UHFFFAOYSA-N
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signalword
Warning
hcodes
Hazard Classifications
Skin Sens. 1
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
357.8 °F
flash_point_c
181 °C
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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Qingjiang Wang et al.
Electrophoresis, 26(17), 3273-3278 (2005-09-07)
For its high reactivity and very short half-life, the hydroxyl radical (OH.) in vivo is very difficult to be detected. Usually, it is indirectly quantified by determining 2,3-dihydroxybenzoic acid (2,3-DHBA) and 2,5-dihydroxybenzoic acid (2,5-DHBA), which are the reaction products of
Robert McGraw et al.
The Journal of chemical physics, 128(6), 064508-064508 (2008-02-20)
Recent kinetic extensions of the nucleation theorem suggest that the logarithm of the steady-state nucleation rate has strong multilinear dependence on the log concentrations of condensable species present in the vapor phase. A further remarkable result is that the coefficients
V Balachandran et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 104, 114-129 (2012-12-26)
FT-Raman and FT-IR spectra for 2-hydroxy-p-toluic acid molecule had been recorded in the regions 3500-100 cm(-1) and 4000-400 cm(-1), respectively. Vibrational frequencies have been calculated in optimum state by employing density functional theory (DFT) and Hartree Fock (HF) methods with