Benzoic acid,2,3,5,6-tetramethyl-

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Names

[ CAS No. ]:
2604-45-7

[ Name ]:
Benzoic acid,2,3,5,6-tetramethyl-

[Synonym ]:
BENZOIC ACID,2,3,5,6-TETRAMETHYL
1.2.4.5-Tetramethyl-benzol-carbonsaeure-(3)
2,3,5,6-tetramethyl-benzoic acid
2,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-1-ONE
Durol-eso-carbonsaeure
EINECS 220-015-8
2,3,5,6-Tetramethyl-benzoesaeure
MFCD00013981

Chemical & Physical Properties

[ Density]:
1.066g/cm3

[ Boiling Point ]:
310ºC at 760mmHg

[ Melting Point ]:
178-181ºC(lit.)

[ Molecular Formula ]:
C11H14O2

[ Molecular Weight ]:
178.22800

[ Flash Point ]:
145.5ºC

[ Exact Mass ]:
178.09900

[ PSA ]:
37.30000

[ LogP ]:
2.61840

[ Vapour Pressure ]:
0.000266mmHg at 25°C

[ Index of Refraction ]:
1.54

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH6835100
CHEMICAL NAME :
Benzoic acid, 2,3,5,6-tetramethyl-
CAS REGISTRY NUMBER :
2604-45-7
BEILSTEIN REFERENCE NO. :
2328778
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
QVR B1 C1 E1 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 :
750 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

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH6835100

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzene,3-bromo-1,2,4,5-tetramethyl-
  • phosgene
  • 1,2,4,5-Tetramethylbenzene
  • Carbamic chloride
  • tetranitromethane
  • 2-(2.4.6-trimethyl-phenyl)-1-(2.3.5.6-tetramethyl-phenyl)-propen-(1)-ol-(1)
  • Acetone

DownStream

  • DUROQUINONE
  • Phenol,2,3,5,6-tetramethyl-
  • Benzoic acid,2,3,5,6-tetramethyl-4-nitro-
  • Benzoic acid,2,3,5,6-tetramethyl-, methyl ester
  • DMBP
  • (2,3,5,6-tetramethylphenyl)methanol
  • 1,2,4,5-Tetramethylbenzene
  • Carbon dioxide
  • 4,4'-diphenoxybenzophenone

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%

Related Compounds

  • Benzoic acid,2,3,5,6-tetramethyl-4-nitro-
  • Benzoic acid,2,3,5,6-tetramethyl-, methyl ester
  • Benzoic acid,2,3,5,6-tetramethyl-4-(phenylethynyl)
  • Benzoic acid,2,3,5,6-tetramethyl-, 2,2-dimethylpropyl ester
  • Benzoic acid,2,3,5,6-tetramethyl-,7-nitro-8-quinolinyl ester
  • BENZOIC ACID, 2,3,5,6-TETRAMETHYL-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
  • 6-Chloro-2-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
  • 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
  • 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
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide