2,4,6-Trimethylbenzoic acid

Suppliers

Names

[ CAS No. ]:
480-63-7

[ Name ]:
2,4,6-Trimethylbenzoic acid

[Synonym ]:
4-09-00-01854 (Beilstein Handbook Reference)
Benzoic acid,2,4,6-trimethyl
Benzoic acid, 2,4,6-trimethyl-
2,4,6-trimethylbenzoate
EINECS 207-553-9
QVR B1 D1 F1
MFCD00002481
Mesitylenecarboxylic acid
Mesitylene-2-carboxylic acid
2-Mesitylenecarboxylic acid
Mesitoic acid
4,4'-dimethoxybenzhydryl 2,4,6-trimethylbenzoate
2,4,6-Trimethylbenzoic acid
2,4,6-Trimethylbenzoicacid
2,4,6-Me3C6H2COOH
2,4,6-Me3C6H2CO2H

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
296.6±9.0 °C at 760 mmHg

[ Melting Point ]:
152-155 °C(lit.)

[ Molecular Formula ]:
C₁₀H₁₂O₂

[ Molecular Weight ]:
164.201

[ Flash Point ]:
138.0±13.4 °C

[ Exact Mass ]:
164.083725

[ PSA ]:
37.30000

[ LogP ]:
3.28

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.545

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI0887010

CHEMICAL NAME :: Benzoic acid, 2,4,6-trimethyl-

CAS REGISTRY NUMBER :: 480-63-7

BEILSTEIN REFERENCE NO. :: 1866187

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H12-O2

MOLECULAR WEIGHT :: 164.22

WISWESSER LINE NOTATION :: QVR B1 D1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 562 mg/kg

TOXIC EFFECTS :: Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
20/21/22

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DI0887010

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Mesitaldehyde
Acetomesitylene
Carbon dioxide
2,4,6-Trimethylbenzeneboronic acid neopentyl glycol cyclic ester
Mesitylene
Methyl 2,4,6-trimethylbenzoate
Formic Acid
2,4,6-trimethylphenylmagnesium bromide
Iodo-2,4,6-trimethylbenzene
Mesitylmethanol

DownStream

2,4,6-trimethyl-3-nitrobenzoic acid
1,2,3,5-tetramethylbenzene
Mesitylmethanol
2,4,6-Trimethylbenzoyl chloride
Mesitaldehyde
Dibenzyl carbonate
(2,4,6-trimethylbenzoyl) 2,4,6-trimethylbenzoate
phenylurethane
Mesitylene
5,7-dimethyl-3H-2-benzofuran-1-one

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

[Kinetics of the interaction of a phosphorylating substrate analog with the Ca-ATPase of myosin and heavy meromyosin].

Nauchnye Doki. Vyss. Shkoly. Biol. Nauki (1) , 17-9, (1982)

Isolation of alpha-subunits of factor F1 from submitochondrial particles and the reconstitution of active ATPase from isolated alpha-subunits and beta-subunits bound to the mitochondrial membrane.

Biochem. J. 192(2) , 483-8, (1980)

The alpha-subunits of factor-F1 ATPase are removed by extraction of submitochondrial particles with 1.75 M-LiCl, with the consequent loss of ATPase activity. ATPase activity is reconstituted by incuba...