2,4,6-Trimethylbenzoic acid
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2,4,6-Trimethylbenzoic acid
structure -
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CAS No:
480-63-7
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Formula:
C10H12O2
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Chemical Name:
2,4,6-Trimethylbenzoic acid
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Synonyms:
Benzoic acid,2,4,6-trimethyl-;2,4,6-Trimethylbenzoic acid;β-Isodurylic acid;Mesitoic acid;Mesitylenecarboxylic acid;NSC 1119;NSC 203160;NSC 407983
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CAS No:
Description
white to almost white crystalline powder
2,4,6-trimethylbenzoic acid is a trimethylbenzoic acid in which the three methyl substituents are located at positions 2, 4 and 6. It derives from a benzoic acid. It is a conjugate acid of a 2,4,6-trimethylbenzoate.
2,4,6-Trimethylbenzoic acid Basic Attributes
164.2
164.20
1866187
207-553-9
4PU2HG6787
407983|1119
DTXSID6048200
29163900
Characteristics
37.3
2.6
white crystal
1.16 g/cm3
154 °C
288.61°C (estimate)
138.0±13.4 °C
1.545
722.5mg/L(temperature not stated)
Store below +30°C.
0.000639mmHg at 25°C
Safety Information
NONH for all modes of transport
3
20/21/22
22-24/25-36
DI0887010
Xn
Stable under normal shipping and handling conditions. Stable under normal temperatures and pressures.
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
2,4,6-Trimethylbenzoic acid Use and Manufacturing
Used as an intermediate for dyes, insecticides, medicine and photoinitiators, and can be used to synthesize trimethylbenzoyl chloride, etc.
Benzoic acid, 2,4,6-trimethyl-: ACTIVE
Computed Properties
Molecular Weight:164.20
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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