Introduction：Basic information about 3,5-Dimethylbenzoic acid CAS 499-06-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3,5-Dimethylbenzoic acid Basic information
| Product Name: | 3,5-Dimethylbenzoic acid |
| Synonyms: | 3,5-dimethyl-benzoicaci;Benzoicacid,3,5-dimethyl-;3,5-Dimethylbezoic acid;RARECHEM AL BO 0607;SYM-M-XYLYLIC ACID;m-Xylylic acid;M-XYLENE-5-CARBOXYLIC ACID;3,5-DIMETHYLBENZOIC ACID |
| CAS: | 499-06-9 |
| MF: | C9H10O2 |
| MW: | 150.17 |
| EINECS: | 207-876-5 |
| Product Categories: | Building Blocks;C9;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;intermediate;CARBOXYLICACID;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;bc0001 |
| Mol File: | 499-06-9.mol |
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3,5-Dimethylbenzoic acid Chemical Properties
| Melting point | 169-171 °C (lit.) |
| Boiling point | 271.51°C (estimate) |
| density | 1.0937 (estimate) |
| refractive index | 1.5188 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 4.32(at 25℃) |
| form | Crystalline Powder |
| color | White to light yellow |
| Water Solubility | Soluble in methanol. (1 g/10 mL). Slightly soluble in water. |
| BRN | 1072182 |
| InChI | InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11) |
| InChIKey | UMVOQQDNEYOJOK-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(C)=CC(C)=C1 |
| CAS DataBase Reference | 499-06-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 3,5-dimethyl-(499-06-9) |
| EPA Substance Registry System | Benzoic acid, 3,5-dimethyl- (499-06-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | DG8734030 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
3,5-Dimethylbenzoic acid Usage And Synthesis
| Chemical Properties | white to light yellow crystalline powder |
| Uses | 3,5-Dimethylbenzoic acid is suitable reagent used as carbon and energy supplement in the culture medium of Pseudomonas sp |
| Definition | ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 5. |
| Purification Methods | Distil the acid in steam, crystallise it from H2O (m 171.2-171.7o) or EtOH, and sublime it in vacuo.[Beilstein 9 H 536, 9 III 244, 9 IV 1806.] |
3,5-Dimethylbenzoic acid Preparation Products And Raw materials
| Raw materials | Oxygen-->Mesitylene-->Benzene, 1-(iodomethyl)-3,5-dimethyl--->3,5-Dimethylbenzaldehyde |
| Preparation Products | METHOXYFENOZIDE-->3,5-Dimethylbenzoyl chloride-->Tebufenozide-->1-Iodo-3,5-dimethylbenzene-->Boron Standard Metal Solution-->METHYL 3,5-DIMETHYLBENZOATE-->4-AMINO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER-->2-bromo-3,5-dimethylbenzoic acid-->2-Amino-3,5-dimethylbenzoic acid-->1-ETHYNYL-3,5-DIMETHYL-BENZENE-->1,3,4-Thiadiazol-2-amine, 5-(3,5-dimethylphenyl)- |
