Industrial Manufacturing and Purity Standards for 2-Ethylbenzenethiol
- High Yield Production: Optimized C-S coupling ensures consistent >99% purity levels for critical fragrance applications.
- Technical Specifications: CAS 4500-58-7 features a boiling point of 203-205°C and distinct sulfurous roasted meaty odor profile.
- Bulk Procurement: Scalable manufacturing process supports metric tonnage supply with full COA documentation.
2-Ethylbenzenethiol, also known commercially as 2-Ethylthiophenol, is a critical aromatic thiol compound utilized extensively in the flavor and fragrance industry. Identified by CAS number 4500-58-7, this substance serves as a potent fragrance intermediate capable of imparting complex savory notes to food formulations. At trace concentrations, it delivers alliaceous, burnt meaty, and roasted sesame seed characteristics essential for instant coffee profiles and savory flavor bases. For industrial buyers, securing a reliable supply chain that guarantees industrial purity is paramount to maintaining consistent organoleptic properties in final consumer goods.
Overview of C-S Coupling Manufacturing Process
The commercial production of this ethyl thiophenol derivative typically involves nucleophilic aromatic substitution or reduction of sulfonyl chlorides. The most efficient manufacturing process employs a catalyzed thiolation of o-ethylaniline derivatives or corresponding halobenzenes. Reaction conditions must be tightly controlled to minimize the formation of disulfide impurities and unreacted starting materials. Modern industrial reactors utilize inert atmosphere protocols to prevent oxidation, as the thiol group is highly sensitive to air exposure.
Yield optimization is a primary focus during scale-up. By refining catalyst loading and temperature gradients, manufacturers can achieve conversion rates that support cost-effective bulk production. When sourcing high-purity materials, buyers should evaluate the specific synthesis route employed by the supplier, as this directly impacts the residual solvent profile and overall stability of the high purity liquid. Efficient downstream processing, including vacuum distillation, is required to isolate the target molecule from side products such as sulfides or polymeric tars.
Achieving 99 Percent Purity Standards
Meeting the 99% purity threshold requires rigorous fractional distillation and analytical verification. The physical properties of 2-Ethylbenzenethiol dictate specific handling parameters during purification. With a boiling point ranging between 203-205 °C and a density of 1.025 g/mL at 25 °C, precise temperature control is necessary to separate the product from close-boiling impurities. Gas chromatography (GC) is the standard method for validating purity, ensuring that the final o-Ethylthiophenol content meets stringent specifications required by flavorists.
Storage stability is another critical factor influencing perceived purity. The compound is classified under Hazard Class 6.1 and should be stored in combusted liquid storage classes away from oxidizing agents. Degradation can lead to the formation of disulfides, which alter the odor profile from sulfurous roasted meaty to less desirable pungent notes. Therefore, packaging under nitrogen and using stabilized containers is standard practice for maintaining the integrity of the material during transit and warehousing.
Physical and Chemical Properties
| Property | Specification |
|---|---|
| CAS Number | 4500-58-7 |
| Chemical Name | 2-Ethylbenzenethiol (1-Ethyl-2-mercaptobenzene) |
| Appearance | Clear light yellow liquid |
| Boiling Point | 203-205 °C (lit.) |
| Density | 1.025 g/mL at 25 °C |
| Refractive Index | n20/D 1.5682 |
| FEMA Number | 3345 |
| Odor Profile | Sulfurous, roasted meaty, smoky, alliaceous |
| Purity Standard | ≥ 99% (GC) |
| HS Code | 29309090 |
Commercial Viability and Bulk Procurement
For large-scale flavor houses and pharmaceutical intermediates manufacturers, consistency in bulk price and supply availability is as critical as chemical specification. Market dynamics for sulfur-containing aromatics often fluctuate based on raw material costs for thiourea or hydrogen sulfide sources. A stable global manufacturer mitigates these risks through vertical integration and strategic raw material stocking. Supply abilities ranging from metric tons ensure that production lines for instant coffee and savory snacks remain uninterrupted.
Documentation plays a vital role in B2B transactions. Buyers should request comprehensive Certificates of Analysis (COA) that detail not only purity but also residual solvent limits and heavy metal content. Compliance with TSCA and REACH regulations is mandatory for import into major markets. Furthermore, customization capabilities allow clients to specify packaging formats, from drum quantities for pilot trials to ISO tanks for full-scale production runs.
NINGBO INNO PHARMCHEM CO.,LTD. stands as a premier partner for securing these specialized chemicals. With a focus on R&D and production scalability, NINGBO INNO PHARMCHEM CO.,LTD. delivers technical advantages in process optimization and quality assurance. Their commitment to providing special products and services ensures that clients receive materials that meet the rigorous demands of the fine chemical industry. By prioritizing technical depth and factual data over marketing fluff, they support informed procurement decisions for high-value intermediates.
Application Profiles and Organoleptic Impact
The utility of 2-Ethylbenzenethiol extends beyond simple odor addition. It functions as a strong mixed-type inhibitor in certain enzymatic processes, though its primary value lies in its flavoring capabilities. At usage levels as low as 0.1 ppm, it provides onion, horseradish, and nutty notes. At 0.10% in propylene glycol, the profile shifts toward dried fish and vegetative nuances with a catty underlying tone. This versatility makes it indispensable for creating complex meat flavors and enhancing roasted profiles in beverage applications.
In conclusion, the procurement of 2-Ethylbenzenethiol requires a partner who understands the nuances of thiol chemistry. From the initial synthesis route to the final distillation cut, every step influences the quality of the high purity liquid. By selecting a supplier with proven industrial capacity and strict quality controls, manufacturers can ensure their final products deliver the consistent sensory experience consumers expect.