Cas no 619-04-5 (3,4-Dimethylbenzoic acid)
3,4-Dimethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Dimethylbenzoic acid
- 1-Carboxy-3,4-dimethylbenzene
- 3,4-diMeC6H4COOH
- 3,4-dimethylbenzene carboxylic acid
- 3,4-Dimethyl-benzoesaeure
- 3,4-DiMethyl-Benzoic Acid
- asym.-o-Xylylic acid
- asyM-o-Xylylic acid
- Benzoic acid,3,4-dimethyl
- EINECS 210-576-7
- o-Xylene-4-carboxylic Acid
- Paraxy lylic acid
- p-Xylylic acid
- unsyM-o-Xylylic acid
- Benzoic acid, 3,4-dimethyl-
- Z2TCZ088AV
- OPVAJFQBSDUNQA-UHFFFAOYSA-N
- 3,4-Dimethylbenzoicacid
- PubChem14893
- 3,4-dimethyl benzoic acid
- 3, 4 dimethyl benzoic acid
- Benzoic acid,3,4-dimethyl-
- PAR
- Paraxylic Acid
- AM10821
- SCHEMBL310259
- 4-09-00-01803 (Beilstein Handbook Reference)
- SY001153
- FT-0614372
- UNII-Z2TCZ088AV
- NS00015549
- Z104477078
- DTXSID5060693
- 3,4-Dimethylbenzoic acid, 98%
- CHEBI:64818
- PD158345
- AC-8956
- AE-562/40207816
- W-105082
- EN300-20154
- AB01331517-02
- HY-W017434
- 619-04-5
- F3098-0374
- BRN 0907267
- OPVAJFQBSDUNQA-UHFFFAOYSA-
- NCGC00338539-01
- InChI=1/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
- DS-1853
- MFCD00002524
- Q27133457
- D1439
- CS-W018150
- AKOS000120463
- FS-2351
- DTXCID2043165
- STL169575
- 210-576-7
- FD54829
-
- MDL: MFCD00002524
- Inchi: 1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
- InChI Key: OPVAJFQBSDUNQA-UHFFFAOYSA-N
- SMILES: OC(C1C=CC(C)=C(C)C=1)=O
- BRN: 0907267
Computed Properties
- Exact Mass: 150.06800
- Monoisotopic Mass: 150.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 154
- 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: 2.7
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: Off white powder.
- Density: 1.0937 (estimate)
- Melting Point: 165.0 to 169.0 deg-C
- Boiling Point: 294.6°C at 760 mmHg
- Refractive Index: 1.5188 (estimate)
- PSA: 37.30000
- LogP: 2.00160
- Solubility: Insoluble in water.
3,4-Dimethylbenzoic acid Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: R22;R36/37/38
- Safety Instruction: S22-S24/25-S37/39-S26
- RTECS:DG8734020
-
Hazardous Material Identification:
- TSCA:Yes
- Storage Condition:Sealed in dry,Room Temperature
- Risk Phrases:R22; R36/37/38
- Safety Term:S26;S37/39
3,4-Dimethylbenzoic acid Customs Data
- HS CODE:2916399090
- Customs Data:
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
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%
3,4-Dimethylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | D149403-10G |
3,4-Dimethylbenzoic acid |
619-04-5 | 98% | 10G |
418.35 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | D149403-100G |
3,4-Dimethylbenzoic acid |
619-04-5 | 98% | 100G |
2318.99 | 2021-05-17 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D838516-100g |
3,4-Dimethylbenzoic acid |
619-04-5 | 99% | 100g |
748.00 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D1439-10g |
3,4-Dimethylbenzoic acid |
619-04-5 | 99.0%(T) | 10g |
¥235.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D1439-25g |
3,4-Dimethylbenzoic acid |
619-04-5 | 99.0%(T) | 25g |
¥530.0 | 2022-05-30 | |
| Matrix Scientific | 126543-5g |
3,4-Dimethylbenzoic acid, >97% |
619-04-5 | >97% | 5g |
$26.00 | 2023-09-10 | |
| Matrix Scientific | 126543-25g |
3,4-Dimethylbenzoic acid, >97% |
619-04-5 | >97% | 25g |
$45.00 | 2023-09-10 | |
| Matrix Scientific | 126543-100g |
3,4-Dimethylbenzoic acid, >97% |
619-04-5 | >97% | 100g |
$140.00 | 2023-09-10 | |
| TRC | D476768-500mg |
3,4-Dimethylbenzoic acid |
619-04-5 | 500mg |
$64.00 | 2023-05-18 | ||
| TRC | D476768-1g |
3,4-Dimethylbenzoic acid |
619-04-5 | 1g |
$ 60.00 | 2022-06-05 |
3,4-Dimethylbenzoic acid Suppliers
3,4-Dimethylbenzoic acid Related Literature
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1. Chemical constitution and the dissociation constants of monocarboxylic acids. Part XIII. Some alkylbenzoic acids exhibiting steric effectsJ. F. J. Dippy,S. R. C. Hughes,J. W. Laxton J. Chem. Soc. 1954 1470
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Ka-Ho Ng,Fo-Ning Ng,Wing-Yiu Yu Chem. Commun. 2012 48 11680
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Salma Tabassum,Qinhong Ji,Sufia Hena,Chunfeng Chu,Guangxin Yu,Zhenjia Zhang RSC Adv. 2015 5 58334
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H. H. Hatt,A. Pilgrim,W. J. Hurran J. Chem. Soc. 1936 93
Additional information on 3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic Acid (CAS No. 619-04-5): An Overview of Its Properties, Applications, and Recent Research
3,4-Dimethylbenzoic acid (CAS No. 619-04-5) is a versatile organic compound that has garnered significant attention in the fields of chemistry, pharmaceuticals, and materials science. This compound is characterized by its aromatic structure with two methyl groups and a carboxylic acid functional group. The unique combination of these functional groups endows 3,4-dimethylbenzoic acid with a range of properties that make it valuable in various applications.
The molecular formula of 3,4-dimethylbenzoic acid is C9H10O2, and its molecular weight is approximately 150.17 g/mol. The compound is a white crystalline solid at room temperature and is soluble in organic solvents such as ethanol and acetone but has limited solubility in water. These physical properties are crucial for its use in synthetic processes and as a building block in the development of more complex molecules.
In the realm of organic synthesis, 3,4-dimethylbenzoic acid serves as an important intermediate for the preparation of various derivatives. Its carboxylic acid group can undergo esterification, amidation, and other reactions to form esters, amides, and other functionalized compounds. These derivatives find applications in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. For instance, esters derived from 3,4-dimethylbenzoic acid are used as plasticizers and intermediates in the production of dyes and pigments.
The aromatic structure of 3,4-dimethylbenzoic acid, particularly the presence of the two methyl groups at the 3- and 4-positions, influences its reactivity and stability. These substituents can modulate the electronic properties of the benzene ring, affecting the compound's behavior in various chemical reactions. Recent studies have explored the use of 3,4-dimethylbenzoic acid in the synthesis of novel materials with enhanced properties. For example, researchers have utilized this compound to create conjugated polymers with improved conductivity and photoluminescence characteristics.
In the pharmaceutical industry, 3,4-dimethylbenzoic acid has been investigated for its potential therapeutic applications. One area of interest is its use as a precursor for the synthesis of anti-inflammatory drugs. The carboxylic acid group can be modified to form prodrugs that are more readily absorbed by the body and have enhanced bioavailability. Additionally, derivatives of 3,4-dimethylbenzoic acid have shown promise in the development of anticancer agents due to their ability to inhibit specific enzymes involved in tumor growth.
The environmental impact of chemicals is an important consideration in their use and development. Studies on the biodegradability and ecotoxicity of 3,4-dimethylbenzoic acid have indicated that it is relatively stable under environmental conditions but can be degraded by microorganisms over time. This information is crucial for assessing its safety in industrial applications and ensuring compliance with environmental regulations.
In conclusion, 3,4-dimethylbenzoic acid (CAS No. 619-04-5) is a multifaceted compound with a wide range of applications in chemistry and related fields. Its unique structural features make it a valuable intermediate for synthetic processes and a promising candidate for the development of new materials and pharmaceuticals. Ongoing research continues to uncover new possibilities for this versatile compound, further highlighting its significance in modern scientific endeavors.
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