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)


More Articles

Related Compounds

  • 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
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • Ethyl 2-(aminomethyl)cyclopentane-1-carboxylate
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 1-[3-(Trifluoromethoxy)phenyl]ethane-1,2-diamine
  • tert-Butyl-DL-alanine