2,4,5-Trimethylbenzoic Acid
2,4,5-Trimethylbenzoic Acid structure
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Common Name | 2,4,5-Trimethylbenzoic Acid | ||
|---|---|---|---|---|
| CAS Number | 528-90-5 | Molecular Weight | 164.201 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 303.7±11.0 °C at 760 mmHg | |
| Molecular Formula | C10H12O2 | Melting Point | 150-153 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 140.8±13.9 °C | |
Summary: 2,4,5-Trimethylbenzoic acid (CAS number: 528-90-5), molecular formula C10H12O2, molecular weight 164.201,熔点150-153 °C,沸点303.7±11.0 °C, density 1.1±0.1 g/cm³. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,4,5-Trimethylbenzoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 303.7±11.0 °C at 760 mmHg |
| Melting Point | 150-153 °C(lit.) |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.201 |
| Flash Point | 140.8±13.9 °C |
| Exact Mass | 164.083725 |
| PSA | 37.30000 |
| LogP | 3.28 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.545 |
| InChIKey | QENJZWZWAWWESF-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(C(=O)O)cc1C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DI0887000 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 5 | |
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CAS#:4380-67-0This table lists relevant public references with title, journal and publication metadata for this compound.
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Theoretical study on molecular structure and vibrational analysis included FT-IR, FT-Raman and UV techniques of 2,4,5-trimethylbenzoic acid (monomer and dimer structures).
Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 134 , 598-607, (2015) Theoretical study on the structural and vibrational analysis of monomer and dimer structures of 2,4,5-trimethylbenzoic acid (2,4,5-TMBA, C₁₀H₁₂O₂) were presented. The geometry of the molecule was full... |
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Pyrazines and related compounds; a new synthesis of hydroxypyrazines.
J. Am. Chem. Soc. 71(1) , 78-81, (1949)
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2, 4, 5-Trimethylbenzoic Acid. Barcon A, et al.
Acta Crystallogr. C Struct. Chem. 53(12) , 1842-1845., (1997)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Benzoic acid,2,4,5-trimethyl |
| trimethyl benzoic acid |
| 2,4,5-TRIMETHYL BENZOIC ACID |
| 2,4,5-Trimethyl-benzoesaeure |
| MFCD00075863 |
| 2,4,5-Trimethylbenzoic acid |
| 2.4.5-Trimethyl-benzol-carbonsaeure-(1) |
| 2,3-DIHYDRO-5,6-DIMETHYL-2-(1-METHYLETHYL)-PYRAZINE |
| Durylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2,4,5-Trimethylbenzoic acid? |
| A: Molecular formula of 2,4,5-Trimethylbenzoic acid is C10H12O2. |
| Q: What is the CAS number of 2,4,5-Trimethylbenzoic acid? |
| A: CAS number of 2,4,5-Trimethylbenzoic acid is 528-90-5. |
| Q: What English synonyms does 2,4,5-Trimethylbenzoic acid have? |
| A: English synonyms of 2,4,5-Trimethylbenzoic acid: Benzoic acid,2,4,5-trimethyl, trimethyl benzoic acid, 2,4,5-TRIMETHYL BENZOIC ACID, 2,4,5-Trimethyl-benzoesaeure, MFCD00075863, 2,4,5-Trimethylbenzoic acid, 2.4.5-Trimethyl-benzol-carbonsaeure-(1), 2,3-DIHYDRO-5,6-DIMETHYL-2-(1-METHYLETHYL)-PYRAZINE, Durylic acid. |
| Q: What are the downstream products of 2,4,5-Trimethylbenzoic acid? |
| A: Related downstream products(CAS) of 2,4,5-Trimethylbenzoic acid: 58260-83-6;6051-66-7;2790-09-2;89-05-4;4380-67-0. |
| Q: What is the English name of 2,4,5-Trimethylbenzoic acid? |
| A: The English name of 2,4,5-Trimethylbenzoic acid is 2,4,5-Trimethylbenzoic acid. |
| Q: What is the boiling point of 2,4,5-Trimethylbenzoic acid? |
| A: Boiling point of 2,4,5-Trimethylbenzoic acid is 303.7±11.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 2,4,5-Trimethylbenzoic acid? |
| A: InChIKey of 2,4,5-Trimethylbenzoic acid is QENJZWZWAWWESF-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 2,4,5-Trimethylbenzoic acid? |
| A: Polar surface area (PSA) of 2,4,5-Trimethylbenzoic acid is 37.30000. |
| Q: What is the melting point of 2,4,5-Trimethylbenzoic acid? |
| A: Melting point of 2,4,5-Trimethylbenzoic acid is 150-153 °C(lit.). |
| Q: What is the LogP of 2,4,5-Trimethylbenzoic acid? |
| A: LogP of 2,4,5-Trimethylbenzoic acid is 3.28. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |