Cas no 492-88-6 (3-Ethoxysalicylaldehyde)
3-Ethoxysalicylaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 3-Ethoxy-2-hydroxybenzaldehyde
- 3-Ethoxysalicylaldehyde
- Benzaldehyde, 3-ethoxy-2-hydroxy-
- Novovanillin
- O-Ethylvanillin
- Salicylaldehyde, 3-ethoxy-
- 2-Hydroxy-3-ethoxybenzaldehyde
- HB4H48MKNI
- 3-ethoxy-2-hydroxy-benzaldehyde
- OFQBYHLLIJGMNP-UHFFFAOYSA-N
- NSC133446
- PubChem3123
- 3-Ethoxy-2-hydroxybenzaldehye
- FT-0615640
- AMY31517
- NS00031882
- Q2003069
- UNII-HB4H48MKNI
- MFCD00003323
- AKOS000119709
- D78180
- E0253
- NSC 133446
- 3-Ethoxysalicylaldehyde, 97%
- NSC-133446
- 492-88-6
- Z104500548
- EN300-21509
- BRN 2048368
- AI3-08100
- 6-FORMYLGUETHOL
- DTXSID3060083
- CS-W017873
- EINECS 207-765-1
- SY049005
- 5-ETHOXY-6-HYDROXYBENZALDEHYDE
- 2-ETHOXY-6-FORMYLPHENOL
- SCHEMBL172818
- 4-08-00-01748 (Beilstein Handbook Reference)
- ETHYLVANILLIN, O-
- InChI=1/C9H10O3/c1-2-12-8-5-3-4-7(6-10)9(8)11/h3-6,11H,2H2,1H
- A827693
- F2190-0623
- DB-051620
- ALBB-025895
- STL185557
- BBL023426
-
- MDL: MFCD00003323
- Inchi: 1S/C9H10O3/c1-2-12-8-5-3-4-7(6-10)9(8)11/h3-6,11H,2H2,1H3
- InChI Key: OFQBYHLLIJGMNP-UHFFFAOYSA-N
- SMILES: O(CC)C1C=CC=C(C=O)C=1O
- BRN: 2048368
Computed Properties
- Exact Mass: 166.06300
- Monoisotopic Mass: 166.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 147
- 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: 5
- XLogP3: 1.7
- Topological Polar Surface Area: 46.5
Experimental Properties
- Color/Form: Not determined
- Density: 1.1097 (rough estimate)
- Melting Point: 66-68?°C (lit.)
- Boiling Point: 263-264?°C(lit.)
- Flash Point: 263-264°C
- Refractive Index: 1.4500 (estimate)
- Water Partition Coefficient: Soluble in cold water. Insoluble in methanol, ethanol, acetone and acetonitrile
- PSA: 46.53000
- LogP: 1.60340
- Sensitiveness: Air Sensitive
- Solubility: Not determined
3-Ethoxysalicylaldehyde Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36
- RTECS:CU6123000
-
Hazardous Material Identification:
- TSCA:Yes
- Risk Phrases:R36/37/38
3-Ethoxysalicylaldehyde 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-Ethoxysalicylaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E136337-10g |
3-Ethoxysalicylaldehyde |
492-88-6 | 97% | 10g |
¥199.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E136337-1g |
3-Ethoxysalicylaldehyde |
492-88-6 | 97% | 1g |
¥41.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E136337-5g |
3-Ethoxysalicylaldehyde |
492-88-6 | 97% | 5g |
¥102.90 | 2023-09-03 | |
| Ambeed | A323131-5g |
3-Ethoxysalicylaldehyde |
492-88-6 | 97% | 5g |
$12.0 | 2025-02-25 | |
| Ambeed | A323131-10g |
3-Ethoxysalicylaldehyde |
492-88-6 | 97+% | 10g |
$23.00 | 2021-07-07 | |
| Ambeed | A323131-25g |
3-Ethoxysalicylaldehyde |
492-88-6 | 97% | 25g |
$37.0 | 2025-02-25 | |
| Ambeed | A323131-100g |
3-Ethoxysalicylaldehyde |
492-88-6 | 97% | 100g |
$122.0 | 2025-02-25 | |
| abcr | AB126373-25 g |
3-Ethoxysalicylaldehyde, 97%; . |
492-88-6 | 97% | 25g |
€50.10 | 2023-06-24 | |
| Chemenu | CM109705-25g |
3-Ethoxy-2-hydroxybenzaldehyde |
492-88-6 | 95% | 25g |
$58 | 2024-10-14 | |
| Chemenu | CM109705-100g |
3-Ethoxy-2-hydroxybenzaldehyde |
492-88-6 | 95% | 100g |
$172 | 2024-10-14 |
3-Ethoxysalicylaldehyde Suppliers
3-Ethoxysalicylaldehyde Related Literature
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1. A Schiff base sensor for relay monitoring of In3+ and Fe3+ through “off–on–off” fluorescent signalsBing Li,Zhihua Liu,Linlin Li,Yujing Xing,Yuanying Liu,Xiaofeng Yang,Meishan Pei,Guangyou Zhang New J. Chem. 2021 45 6753
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2. The total synthesis of (±)-lycoramine. Part INaohiko Hazama,Hiroshi Irie,Tamio Mizutani,Tetsuro Shingu,Masao Takada,Shojiro Uyeo,Akira Yoshitake J. Chem. Soc. C 1968 2947
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3. 292. Purpurogallin. Part VI. Mechanism of the oxidation of pyrogallolAlan Critchlow,Robert D. Haworth,Peter L. Pauson J. Chem. Soc. 1951 1318
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P. Di Bernardo,P. L. Zanonato,S. Tamburini,P. Tomasin,P. A. Vigato Dalton Trans. 2006 4711
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Sneha Biswas,Tania Chowdhury,Avik Ghosh,Abhijit K. Das,Debasis Das Dalton Trans. 2022 51 7174
Additional information on 3-Ethoxysalicylaldehyde
Comprehensive Guide to 3-Ethoxysalicylaldehyde (CAS No. 492-88-6): Properties, Applications, and Industry Insights
3-Ethoxysalicylaldehyde (CAS No. 492-88-6) is a versatile organic compound widely recognized for its role in synthetic chemistry and industrial applications. This aromatic aldehyde, characterized by its ethoxyl group and salicylaldehyde backbone, exhibits unique chemical properties that make it valuable in pharmaceuticals, agrochemicals, and specialty chemicals. With the growing demand for high-purity intermediates and custom synthesis, this compound has garnered significant attention from researchers and manufacturers alike.
The molecular structure of 3-Ethoxysalicylaldehyde combines a benzene ring with both aldehyde and ethoxy functional groups, enabling diverse reactivity. This structure facilitates its use as a key building block in the synthesis of heterocyclic compounds, such as benzofurans and coumarins, which are prevalent in drug development. Recent studies highlight its potential in creating bioactive molecules, aligning with the pharmaceutical industry's focus on targeted therapies and green chemistry.
In the agrochemical sector, 3-Ethoxysalicylaldehyde derivatives are explored for their pesticidal and herbicidal properties. As sustainability becomes a global priority, researchers are investigating its role in developing eco-friendly crop protection agents. The compound's ability to act as a chelating agent also makes it relevant in catalysis and material science, particularly in metal-organic frameworks (MOFs) and coordination polymers.
From a commercial perspective, CAS 492-88-6 is supplied in various grades, including laboratory reagent and industrial-scale batches. Quality control parameters such as purity (>98%), melting point (40-42°C), and solubility profiles are critical for end-users. Manufacturers emphasize GMP compliance and traceability to meet regulatory standards in Europe, North America, and Asia-Pacific markets.
Emerging trends in AI-driven molecular design have spurred interest in 3-Ethoxysalicylaldehyde as a template for machine learning-assisted drug discovery. Computational chemists leverage its structural features to predict novel structure-activity relationships (SAR), addressing challenges like antimicrobial resistance and chronic disease targets. This intersection of traditional synthesis and digital innovation positions the compound as a bridge between classical and modern chemistry.
Environmental and safety assessments confirm that 3-Ethoxysalicylaldehyde can be handled with standard laboratory precautions. Proper storage conditions—cool, dry environments away from oxidizers—ensure stability. While not classified as hazardous under major regulatory frameworks, its biodegradability and ecotoxicological profile remain active research areas, particularly for green manufacturing initiatives.
The global market for salicylaldehyde derivatives is projected to grow at a CAGR of 5.2% (2023–2030), driven by demand from pharmaceutical intermediates and functional materials. Strategic partnerships between chemical suppliers and end-users are optimizing supply chains to mitigate raw material volatility. For procurement specialists, verifying supplier certifications and technical datasheets is essential to ensure compliance with REACH and FDA guidelines.
In academic circles, 492-88-6 is frequently cited in studies on Schiff base formation and asymmetric catalysis. Its electron-rich aromatic system enables photophysical applications, including fluorescent probes for biochemical sensing. Recent patents disclose methods to enhance its regioselective functionalization, reflecting innovation in fine chemical synthesis.
For researchers exploring structure-property relationships, 3-Ethoxysalicylaldehyde serves as a model substrate to study hydrogen bonding and intramolecular interactions. Advanced analytical techniques like NMR spectroscopy and X-ray crystallography elucidate its conformational dynamics, supporting rational molecular design. These insights are invaluable for developing next-generation catalysts and smart materials.
As industries pivot toward sustainable chemistry, the derivatization of bio-based salicylaldehydes gains traction. Lifecycle assessments of 3-Ethoxysalicylaldehyde production explore solvent recovery and energy-efficient processes, aligning with circular economy principles. Collaborative R&D efforts aim to reduce the carbon footprint of aromatic aldehyde synthesis while maintaining cost competitiveness.
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