| Identification | More | [Name]
2,4,6-Trimethylbenzoic acid | [CAS]
480-63-7 | [Synonyms]
2,4,6-TRIMETHYLBENZOIC ACID
2-MESITYLENECARBOXYLIC ACID
MESITOIC ACID
MESITYLENE-2-CARBOXYLIC ACID
MESITYLENECARBOXYLIC ACID
RARECHEM AL BO 0328
TMBA
2,4,6-trimethyl-benzoicaci
Benzoicacid,2,4,6-trimethyl-
beta-Isodurylic acid
beta-isodurylicacid
2,4,6-Trimethylbenzioc acid
b-Isodurylic acid | [EINECS(EC#)]
207-553-9 | [Molecular Formula]
C10H12O2 | [MDL Number]
MFCD00002481 | [Molecular Weight]
164.2 | [MOL File]
480-63-7.mol |
| Chemical Properties | Back Directory | [Appearance]
white to almost white crystalline powder | [Melting point ]
152-155 °C (lit.) | [Boiling point ]
288.61°C (estimate) | [density ]
1.0670 (estimate) | [refractive index ]
1.5198 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chlorform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
pK1:3.448 (25°C) | [color ]
White to Off-White | [Water Solubility ]
722.5mg/L(temperature not stated) | [BRN ]
1866187 | [InChIKey]
FFFIRKXTFQCCKJ-UHFFFAOYSA-N | [CAS DataBase Reference]
480-63-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 2,4,6-trimethyl-(480-63-7) | [EPA Substance Registry System]
480-63-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
DI0887010
| [TSCA ]
Yes | [HS Code ]
29163900 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Methanesulfonic acid, 1,1,1-trifluoro-, 2,4,6-trimethylphenyl ester-->2,4,6-TRIMETHYLBENZENEBORONIC ACID NEOPENTYL GLYCOL CYCLIC ESTER-->Methyl 2,4,6-trimethylbenzoate-->SodiuM 2,4,6-triMethylbenzenesulfinate-->Mesitylene-->2,4,6-TRIMETHYLPHENYLMAGNESIUM BROMIDE-->Formic acid-->2,4,6-Trimethylbenzyl alcohol-->Trichloroacetyl chloride-->2',4',6'-TRIMETHYLACETOPHENONE-->Mesitaldehyde-->Carbon dioxide-->3,4,5-TRIMETHYLBENZOIC ACID | [Preparation Products]
2,4,6-Trimethylbenzoyl chloride-->γ-Hydroxybutyrophenone-->Ethyl 2,4,6-trimethylbenzoate |
| Hazard Information | Back Directory | [Chemical Properties]
white to almost white crystalline powder | [Uses]
Mesitoic acid can be used for its antioxidant. | [Definition]
ChEBI: A trimethylbenzoic acid in which the three methyl substituents are located at positions 2, 4 and 6. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 96, p. 590, 1974 DOI: 10.1021/ja00809a049
Organic Syntheses, Coll. Vol. 3, p. 553, 1955
Tetrahedron Letters, 11, p. 4459, 1970 | [Purification Methods]
Crystallise mesitoic acid from water, ligroin or carbon tetrachloride [Ohwada et al. J Am Chem Soc 108 3029 1986]. [Beilstein 9 H 553, 9 I 214, 9 II 360, 9 III 2489, 9 IV 1854.] |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,4,6-Trimethylbenzoic acid(480-63-7)MS
2,4,6-Trimethylbenzoic acid(480-63-7)1HNMR
2,4,6-Trimethylbenzoic acid(480-63-7)13CNMR
2,4,6-Trimethylbenzoic acid(480-63-7)IR1
2,4,6-Trimethylbenzoic acid(480-63-7)IR2
2,4,6-Trimethylbenzoic acid(480-63-7)Raman
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