2,6-Dimethylbenzoic acid

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Names

[ CAS No. ]:
632-46-2

[ Name ]:
2,6-Dimethylbenzoic acid

[Synonym ]:
Benzoic acid, 2,6-dimethyl-
2,5-DIMETHYL FURAN
2,6-Dimethylbenzoic acid
2,6-Me2C6H3CO2H
RARECHEM AL BO 0401
2,6-DiMethybenzoic acid
VIC-M-XYLYLIC ACID
MFCD00002483
2,6-dimethyl-benzoicaci
2,6-dimethylbenzene carboxylic acid
EINECS 211-177-0
Benzoic acid,2,6-dimethyl
M-XYLENE-2-CARBOXYLIC ACID
2,6-Dimethylbenzoicacid

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
272.8±9.0 °C at 760 mmHg

[ Melting Point ]:
114-116 °C(lit.)

[ Molecular Formula ]:
C₉H₁₀O₂

[ Molecular Weight ]:
150.174

[ Flash Point ]:
126.1±13.4 °C

[ Exact Mass ]:
150.068085

[ PSA ]:
37.30000

[ LogP ]:
2.82

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.550

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG8734010

CHEMICAL NAME :: Benzoic acid, 2,6-dimethyl-

CAS REGISTRY NUMBER :: 632-46-2

BEILSTEIN REFERENCE NO. :: 1863791

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H10-O2

MOLECULAR WEIGHT :: 150.19

WISWESSER LINE NOTATION :: QVR B1 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 :: 178 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

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DG8734010

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Methylbenzoic acid
Methylboronic acid
sodium,2-methylbenzoate
1,2,3-Trimethylbenzene
Carbon dioxide
2,6-Dimethylbromobenzene
carbon monoxide
2,6-dimethylbenzenediazonium tetrafluoroborate
Formic Acid

DownStream

(2,6-Dimethylphenyl)acetonitrile
bis(2,6-dimethylphenyl)methanol
3-(Chloromethyl)-2,6-dimethylbenzoic acid
ETHYL 2,6-DIMETHYLBENZOATE
2,6-Xylenol
2-(Bromomethyl)-1,3-dimethylbenzene
7-methyl-3H-2-benzofuran-1-one
3-Methylbenzyl alcohol
m-Tolualdehyde
1-(2,6-Dimethylphenyl)methanamine

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

The crystal structure of 2, 6-dimethylbenzoic acid. Anca R, et al.

Acta Crystallogr. Sect. E Struct. Rep. Online 23(6) , 1010-16, (1967)

2,6-Dimethylbenzoic acid-d6
3-Iodo-2,6-dimethylbenzoic acid
1-nitro-2,6-dimethylbenzoic acid
4-Cyano-2,6-dimethylbenzoic acid
3-Bromo-2,6-dimethylbenzoic acid
4-Bromo-2,6-dimethylbenzoic acid
3-(2-Methylpropyl)-1,2,4-thiadiazol-5-amine
3-Cyclohexyl-1,2,4-thiadiazol-5-amine
3-(4-Aminopiperidine-1-carbonyl)benzonitrile
1-(4-Aminopiperidin-1-yl)prop-2-en-1-one
(4-Aminopiperidin-1-yl)(6-hydroxypyridin-3-yl)methanone
1-(Oxane-4-carbonyl)piperidin-4-amine
N-(2-Methoxycyclohexyl)-I+/-,1,5-trimethyl-1H-pyrazole-4-methanamine
1-((6-Chloroimidazo[1,2-a]pyridin-2-yl)methyl)piperidin-4-amine
2-(4-aminopiperidin-1-yl)-N-benzyl-N-methylacetamide
Methyl 3-[(4-aminopiperidin-1-yl)methyl]benzoate

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