Benzoic acid,2,3,5,6-tetramethyl-
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
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
Precursor & DownStream
Precursor
DownStream
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%