Cas no 61040-81-1 (3,5-Dimethoxy-4-methylbenzoic acid)
3,5-Dimethoxy-4-methylbenzoic acid is a substituted benzoic acid derivative characterized by methoxy and methyl functional groups at the 3, 5, and 4 positions, respectively. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its electron-rich aromatic structure enhances reactivity in electrophilic substitution and coupling reactions. The methoxy groups contribute to solubility in polar organic solvents, facilitating further derivatization. The compound’s stability and defined substitution pattern make it valuable for constructing complex molecular frameworks. It is commonly utilized in research settings for developing bioactive molecules and functional materials.
61040-81-1 structure
Product Name:3,5-Dimethoxy-4-methylbenzoic acid
CAS No:61040-81-1
MF:C10H12O4
MW:196.199883460999
MDL:MFCD00017506
CID:90092
PubChem ID:3764486
Update Time:2025-05-28
3,5-Dimethoxy-4-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Dimethoxy-4-methylbenzoic acid
- Benzoic acid,3,5-dimethoxy-4-methyl-
- 3 pound not5-Dimethoxy-4-methylbenzoic acid
- CS-W008043
- 3,5-dimethoxy-4-methyl-benzoic Acid
- 4-methyl-3,5-dimethoxybenzoic acid
- SCHEMBL668540
- 3,5-dimethoxy-4-methyl benzoic acid
- NS00124676
- Z104485712
- SY058452
- FT-0614650
- AS-11562
- 3,5-dimethoxy4-methylbenzoic acid
- MFCD00017506
- DTXSID30396100
- 61040-81-1
- W16340
- BB 0246914
- Benzoic acid, 3,5-dimethoxy-4-methyl-
- AM808199
- AKOS000120545
- EN300-20979
- 3,5-DIMETHOXY-4-METHYLBENZOICACID
- DB-053777
- DTXCID40346959
-
- MDL： MFCD00017506
- Inchi： 1S/C10H12O4/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H,11,12)
- InChI Key： QIBMVRYNEXOCCF-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=O)O)C=C(C=1C)OC
- BRN： 2695238
Computed Properties
- Exact Mass: 196.07400
- Monoisotopic Mass: 196.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.8
- Topological Polar Surface Area: 55.8A^2
Experimental Properties
- Color/Form: solid
- Density: 1.18
- Melting Point: 210-216°C
- Boiling Point: 347.7℃ at 760 mmHg
- Flash Point: 137.8°C
- Refractive Index: 1.53
- Solubility: Soluble in liquid ammonia.
- PSA: 55.76000
- LogP: 1.71040
3,5-Dimethoxy-4-methylbenzoic acid Security Information
- Signal Word：Warning
- Hazard Statement： H315; H319; H335
- Warning Statement： P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S37
- Safety Term：S26;S36
- Risk Phrases：R36/37/38
- Storage Condition：Store at room temperature
3,5-Dimethoxy-4-methylbenzoic acid Customs Data
- HS CODE：2918990090
- Customs Data：
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3,5-Dimethoxy-4-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019096867-25g |
3,5-Dimethoxy-4-methylbenzoic acid |
61040-81-1 | 98% | 25g |
$153.70 | 2023-09-01 | |
| Alichem | A019096867-100g |
3,5-Dimethoxy-4-methylbenzoic acid |
61040-81-1 | 98% | 100g |
$539.00 | 2023-09-01 | |
| Chemenu | CM158707-100g |
3,5-dimethoxy-4-methylbenzoic acid |
61040-81-1 | 95+% | 100g |
$514 | 2021-06-16 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R024273-100g |
3,5-Dimethoxy-4-methylbenzoic acid |
61040-81-1 | 97% | 100g |
￥7568 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R024273-25g |
3,5-Dimethoxy-4-methylbenzoic acid |
61040-81-1 | 97% | 25g |
￥2295 | 2024-05-22 | |
| TRC | D494703-100mg |
3,5-Dimethoxy-4-methylbenzoic acid |
61040-81-1 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | D494703-250mg |
3,5-Dimethoxy-4-methylbenzoic acid |
61040-81-1 | 250mg |
$75.00 | 2023-05-18 | ||
| TRC | D494703-500mg |
3,5-Dimethoxy-4-methylbenzoic acid |
61040-81-1 | 500mg |
$87.00 | 2023-05-18 | ||
| TRC | D494703-1g |
3,5-Dimethoxy-4-methylbenzoic acid |
61040-81-1 | 1g |
$ 75.00 | 2022-06-05 | ||
| Chemenu | CM158707-100g |
3,5-dimethoxy-4-methylbenzoic acid |
61040-81-1 | 95+% | 100g |
$514 | 2022-06-10 |
3,5-Dimethoxy-4-methylbenzoic acid Related Literature
-
1. Long-chain phenols. Part III. Identification of the components of a novel phenolic fraction in anacardium occidentale(cashew nut-shell liquid) and synthesis of the saturated memberJohn H. P. Tyman J. Chem. Soc. Perkin Trans. 1 1973 1639
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2. The chemistry of fungi. Part LXXI. Synthesis of 3,5-dihydroxy-4-methylbenzoic acidDavid R. Briggs,W. Basil Whalley J. Chem. Soc. Perkin Trans. 1 1976 1382
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3. 702. The constitution of chlorophorin. Part II. Further oxidation experiments, and the completion of the structural problemF. E. King,M. F. Grundon J. Chem. Soc. 1950 3547
-
4. 828. The chemistry of fungi. Part XLIII. The synthesis of aposclerotaminic acidA. A. Bell,J. N. Chatterjea,J. S. E. Holker,J. Staunton,W. B. Whalley J. Chem. Soc. 1964 4307
-
5. 699. The constitution of chlorophorin, a constituent of iroko, the timber of Chlorophora excelsa. Part IF. E. King,M. F. Grundon J. Chem. Soc. 1949 3348
61040-81-1 (3,5-Dimethoxy-4-methylbenzoic acid) Related Products
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- 80893-99-8(4-formyl-3-methoxybenzoic acid)
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