Cas no 2233-18-3 (3,5-Dimethyl-4-hydroxybenzaldehyde)
3,5-Dimethyl-4-hydroxybenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Dimethyl-4-hydroxybenzaldehyde
- 4-Hydroxy-3,5-dimethylbenzaldehyde
- 2,6-dimethyl-p-formylphenol
- 3,5-dimethyl-4-hydroksybenzaldehyde
- 4-Formyl-2,6-xylenol
- 4-hydroxy-3,5-dimethyl-benzaldehyd
- 4-Hydroxy-3,5-DiMethyl-Benzaldehyde
- Benzaldehyde,4-hydroxy-3,5-dimethyl
- 3,5-dimethyl-4-hydorxybenzaldehyde
- EINECS 218-774-5
- Benzaldehyde,5-dimethyl-
- 2233-18-3
- 3,5-Dimethyl-4-hydroxybenzaidehyde
- NCGC00335010-01
- H1023
- 4-formyl-2,6-dimethylphenol
- SY001837
- SCHEMBL143965
- 23PA2PMP9F
- UNII-23PA2PMP9F
- DTXSID8062282
- 4-Hydroxy-3,5-dimethyl benzaldehyde
- BP-22343
- AM20060554
- 4-Hydroxy-3,5-dimethylbenzaldehyde, 95%
- J-650153
- BB 0243140
- NSC 128405
- Z56978032
- AKOS000104166
- BCP20234
- HY-W007807
- EN300-17665
- NSC128405
- InChI=1/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H
- Benzaldehyde, 4-hydroxy-3,5-dimethyl-
- W-107484
- MFCD00006946
- 4-hydroxy-3, 5-dimethyl benzaldehyde
- 2,5-dihydroxy-3-methyl-6-nonyl-1,4-benzoquinone;3,5-Dimethyl-4-hydroxybenzaldehyde
- 4-hydroxy-3, 5-dimethylbenzaldehyde
- FT-0614670
- 3,5 -dimethyl-4-hydroxybenzaldehyde
- PS-4139
- A816115
- 4-hydroxy 3,5-dimethyl benzaldehyde
- NSC-128405
- AB01105446-03
- 3,5-dimethyl-4-hydroxy-benzaldehyde
- CS-W007807
- NS00027130
- 3,5-dimethyl-4-hydroxy benzaldehyde
- BBL100114
- DB-024394
- STK498303
-
- MDL: MFCD00006946
- Inchi: 1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3
- InChI Key: UYGBSRJODQHNLQ-UHFFFAOYSA-N
- SMILES: OC1C(C)=CC(C=O)=CC=1C
- BRN: 1908717
Computed Properties
- Exact Mass: 150.06800
- Monoisotopic Mass: 150.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 133
- 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: 4
- XLogP3: nothing
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Color/Form: Light brown crystalline powder
- Density: 1.0858 (rough estimate)
- Melting Point: 113.0 to 117.0 deg-C
- Boiling Point: 263.9℃ at 760 mmHg
- Flash Point: 109.7℃
- Refractive Index: 1.5180 (estimate)
- PSA: 37.30000
- LogP: 1.82150
- Sensitiveness: Air Sensitive
- Solubility: Insoluble in water
3,5-Dimethyl-4-hydroxybenzaldehyde 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: 36/37/38
- Safety Instruction: S26-S37/39
-
Hazardous Material Identification:
- TSCA:Yes
- Storage Condition:Store at room temperature
- Risk Phrases:R36/37/38
- Safety Term:S26;S37/39
3,5-Dimethyl-4-hydroxybenzaldehyde Customs Data
- HS CODE:2912499000
- Customs Data:
China Customs Code:
2912499000Overview:
2912499000. Other aldehyde ethers\Aldehydes, phenols and aldehydes containing other oxygen-containing groups. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Appearance of tetraformaldehyde
Summary:
2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%
3,5-Dimethyl-4-hydroxybenzaldehyde Pricemore >>
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| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H135703-25g |
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3,5-Dimethyl-4-hydroxybenzaldehyde Suppliers
3,5-Dimethyl-4-hydroxybenzaldehyde Related Literature
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Debayan Sarkar,Manoj Kumar Ghosh,Nilendri Rout Org. Biomol. Chem. 2016 14 7883
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Christophe Boldron,?eniz ?zalp-Yaman,Patrick Gamez,Duncan M. Tooke,Anthony L. Spek,Jan Reedijk Dalton Trans. 2005 3535
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3. 198. Studies in peroxidase action. Part X. The oxidation of phenolsH. Booth,B. C. Saunders J. Chem. Soc. 1956 940
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Jean-Pierre Aguer,Gilles Mailhot,Michèle Bolte New J. Chem. 2006 30 191
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Jian-An Jiang,Cheng Chen,Jian-Gang Huang,Hong-Wei Liu,Song Cao,Ya-Fei Ji Green Chem. 2014 16 1248
Additional information on 3,5-Dimethyl-4-hydroxybenzaldehyde
Introduction to 3,5-Dimethyl-4-hydroxybenzaldehyde (CAS No. 2233-18-3)
3,5-Dimethyl-4-hydroxybenzaldehyde, identified by the Chemical Abstracts Service Number (CAS No.) 2233-18-3, is a significant organic compound with a rich history in chemical synthesis and pharmaceutical applications. This aromatic aldehyde, characterized by its distinct hydroxyl and methyl substituents on a benzene ring, has garnered considerable attention in recent years due to its versatile reactivity and potential biological activities. The compound’s structural features make it a valuable intermediate in the synthesis of various pharmacologically relevant molecules, including natural products and drug candidates.
The chemical structure of 3,5-Dimethyl-4-hydroxybenzaldehyde consists of a benzene ring substituted with two methyl groups at the 3rd and 5th positions and a hydroxyl group at the 4th position, along with an aldehyde functional group at the 1st position. This arrangement imparts unique electronic and steric properties to the molecule, influencing its interactions with biological targets. The presence of both electron-donating (hydroxyl) and electron-withdrawing (aldehyde) groups creates a balance that enhances its utility in synthetic chemistry.
In recent years, 3,5-Dimethyl-4-hydroxybenzaldehyde has been extensively studied for its potential applications in pharmaceutical research. One of the most promising areas is its role as a precursor in the synthesis of bioactive compounds. For instance, researchers have explored its use in constructing complex heterocyclic frameworks, which are often found in therapeutic agents targeting neurological disorders. The aldehyde group serves as a versatile handle for further functionalization, enabling the creation of diverse derivatives with tailored properties.
Moreover, 3,5-Dimethyl-4-hydroxybenzaldehyde has been investigated for its pharmacological effects. Preclinical studies have suggested that derivatives of this compound may exhibit anti-inflammatory, antioxidant, and even anticancer properties. The hydroxyl group’s ability to form hydrogen bonds and its interaction with various enzymes make it an attractive scaffold for drug design. Researchers are particularly interested in how modifications around this core structure can modulate biological activity without compromising efficacy.
The synthesis of 3,5-Dimethyl-4-hydroxybenzaldehyde itself is another area of active interest. Traditional methods often involve the oxidation of corresponding methyl-substituted benzene derivatives or the condensation reactions involving phenols and aldehydes. However, modern synthetic approaches have focused on improving yields and reducing environmental impact. Catalytic methods, including transition-metal-catalyzed reactions, have been employed to achieve more efficient and sustainable production processes.
Recent advancements in computational chemistry have also enhanced our understanding of 3,5-Dimethyl-4-hydroxybenzaldehyde’s reactivity. Molecular modeling studies predict that this compound can act as a ligand in metal complexes, which could be exploited for catalytic applications or as therapeutic agents themselves. Such insights are crucial for designing new synthetic strategies and optimizing existing ones.
In industrial settings, 3,5-Dimethyl-4-hydroxybenzaldehyde is valued for its role in producing fine chemicals and specialty materials. Its aromatic nature allows it to be incorporated into polymers and coatings that require specific thermal or mechanical properties. Additionally, its fragrance-like characteristics make it a candidate for use in perfumery and flavoring agents when appropriately functionalized.
The future prospects for 3,5-Dimethyl-4-hydroxybenzaldehyde are bright, particularly as synthetic methodologies continue to evolve. Innovations in green chemistry may lead to more eco-friendly production routes, while advances in biocatalysis could offer novel ways to access complex derivatives. Furthermore, interdisciplinary research combining organic chemistry with medicinal chemistry is likely to uncover new therapeutic applications for this versatile compound.
In conclusion,3,5-Dimethyl-4-hydroxybenzaldehyde (CAS No. 2233-18-3) remains a cornerstone in both academic research and industrial applications. Its unique structural features enable diverse chemical transformations and biological interactions, making it indispensable in modern chemical synthesis and drug development. As our understanding of its properties grows, this compound will undoubtedly continue to play a pivotal role in advancing scientific knowledge and technological innovation.
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