Introduction：Basic information about CAS 2604-45-7|Benzoic acid,2,3,5,6-tetramethyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzoic acid,2,3,5,6-tetramethyl- |
|---|
| CAS Number | 2604-45-7 | Molecular Weight | 178.22800 |
|---|
| Density | 1.066g/cm3 | Boiling Point | 310ºC at 760mmHg |
|---|
| Molecular Formula | C11H14O2 | Melting Point | 178-181ºC(lit.) |
|---|
| MSDS | USA | Flash Point | 145.5ºC |
|---|
Names
| Name | 2,3,5,6-Tetramethylbenzoic acid |
|---|
| Synonym | More Synonyms |
|---|
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 |
|---|
| InChIKey | STIDRZRESMTQBD-UHFFFAOYSA-N |
|---|
| SMILES | Cc1cc(C)c(C)c(C(=O)O)c1C |
|---|
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 DATAACUTE 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 |
|---|
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% |
|---|
Synonyms
| 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 |
