1′-Hydroxyestragole (CAS: 51410-44-7) is a hydroxylated phenylpropanoid derivative with the molecular formula C₁₀H₁₂O₂ and a molecular weight of 164.20 g/mol. It is the primary proximate carcinogenic metabolite of estragole, a naturally occurring phenylpropene found in the essential oils of various herbs and spices such as basil, fennel, and tarragon. The compound appears as a clear to pale yellow liquid and is characterized by a hydroxyl group (-OH) attached to the aromatic ring, which influences its reactivity and solubility. Synonyms include α-ethenyl-4-methoxybenzenemethanol, 1-(p-methoxyphenyl)allyl alcohol, and 1-(4-methoxyphenyl)prop-2-en-1-ol.
As a specialized research intermediate, 1′-hydroxyestragole is of significant interest in the fields of toxicology, metabolism, and carcinogenicity research. Its formation occurs endogenously via cytochrome P450-mediated 1′-hydroxylation of estragole, catalyzed primarily by CYP1A2, CYP2A6, and CYP2E1 enzymes. The compound serves as the obligate precursor to the ultimate carcinogenic species, 1′-sulfooxyestragole, which is generated through sulfotransferase (SULT) conjugation. These reactive metabolites can bind to DNA, forming adducts that may lead to mutations and cancer, with key molecular targets including DNA bases, particularly guanine and adenine. Market demand is closely linked to the global pharmaceutical research, toxicology, and academic research sectors, driven by the increasing need for high-purity reference standards in metabolism studies and DNA adduct research. Based on its chemical characteristics and industrial chain position, this article systematically analyzes international market dynamics of 1′-hydroxyestragole, focusing on core application scenarios, competitive landscape, regional differences, regulatory trends, and future outlook, providing strategic references for industry participants.
Core Application Fields and Demand
Market demand for 1′-hydroxyestragole is concentrated in three major sectors: toxicology and metabolism research (≈60-65% of global consumption), DNA adduct research and analytical reference standards (≈25-30%), and pharmaceutical and chemical research (≈5-10%).
In the toxicology and metabolism research sector, 1′-hydroxyestragole serves as a critical research tool for studying the bioactivation pathways of estragole and related phenylpropanoids. It is primarily utilized as an analytical reference standard for metabolism and toxicology studies. Researchers use the compound to investigate species differences in the bioactivation of estragole, with studies comparing the kinetics for sulfonation of 1′-hydroxyestragole in rat, mouse, and human liver S9 homogenates. The compound is also employed in studies examining the inhibition of sulfotransferase-mediated formation of DNA adducts, such as those investigating the effects of basil extract on the sulfation and DNA adduct formation of 1′-hydroxyestragole. The global toxicology research market continues to expand, driven by increasing regulatory requirements for safety assessment of food additives, herbal medicinal products, and environmental chemicals.
In the DNA adduct research and analytical reference standards sector, 1′-hydroxyestragole is used as a key intermediate for synthesizing reactive ester derivatives, such as 1′-acetoxyestragole, which are employed in DNA adduct research. The compound serves as an essential reference standard for analytical method development (AMD), method validation (AMV), and quality control (QC) applications in genotoxicity and carcinogenicity studies. It is also used in tandem mass spectrometry analysis to study species differences in sulfotransferase conversion of 1′-hydroxyestragole. The growing focus on understanding the mechanisms of chemical carcinogenesis and the development of DNA adductomics continues to drive demand for high-purity research intermediates.
In the pharmaceutical and chemical research sector, 1′-hydroxyestragole is used as a research chemical for studying the biological activities of phenylpropanoid metabolites. The compound exhibits potential biological activities, including antioxidant properties, and has been studied for its effects on various biological systems. It is also used in studies investigating the inhibition of cancer cell growth, as 1-(4-methoxyphenyl)prop-2-en-1-ol (1MPE) has been shown to inhibit the growth of cancer cells in vitro and in vivo.
Major Market Participants
The global supply system for 1′-hydroxyestragole follows a pattern of specialized fine chemical and research intermediate manufacturers, with production and supply concentrated in China, Europe, and North America. The compound is generally supplied as a clear to pale yellow liquid with purity ranging from 95% to ≥98% (verified by GC or HPLC analysis), often stabilized with TBC (tert-butylcatechol) to prevent unwanted polymerization.
As a highly specialized research chemical, 1′-hydroxyestragole is primarily available through dedicated fine chemical suppliers and research chemical distributors. Shanghai XinChem Co., Ltd. (XinChem) has established a reliable, quality-controlled supply chain for high-purity 1′-Hydroxyestragole (CAS 51410-44-7). Our product is manufactured under strict quality management, achieving consistent purity (≥95-98%) with low impurity profiles, fully complying with global research and analytical standards. It is available in research grade for laboratory and R&D applications, and high-purity grade for analytical reference standards and advanced research. XinChem offers flexible packaging options ranging from milligram quantities for research to bulk custom packaging for industrial research applications.
Regional Market Dynamics
Global demand for 1′-hydroxyestragole shows regional differentiation: “North America and Europe lead in high-purity research and analytical applications, Asia-Pacific is the fastest-growing region for research chemical supply, and Japan and South Korea demand ultra-high-purity grades for advanced toxicology studies.”
North America (United States and Canada) and Europe (Germany, Switzerland, United Kingdom, France, Netherlands) together account for the largest share of high-purity research and analytical consumption (≥98%), driven by the highest concentration of pharmaceutical R&D, toxicology research, academic institutions, and regulatory agencies. Customer requirements in these regions are stringent: purity ≥98%, full traceability, compliance with REACH and TSCA regulations, and comprehensive impurity documentation. The compound is classified for research use only and is not intended for therapeutic or veterinary applications.
Asia-Pacific, particularly China, is the fastest-growing region for research chemical supply and manufacturing. Chinese manufacturers, including XinChem, offer competitive pricing at scales ranging from milligram research quantities to bulk custom packaging, serving both domestic demand for research intermediates and exports to global markets. The region‘s expanding pharmaceutical research base, coupled with growing investment in toxicology and metabolism studies, continues to drive demand for high-purity research intermediates.
Japan and South Korea demand ultra-high-purity grades for advanced toxicology studies and pharmaceutical research applications.
Regulatory and Environmental Considerations
1′-Hydroxyestragole (CAS 51410-44-7) is subject to regulatory oversight in major economies, particularly when intended for research and analytical applications. The compound is listed in the MeSH Supplementary Concept Data with Unique ID C014037. As a proximate carcinogenic metabolite of estragole, the compound is of significant regulatory interest in the context of food safety and herbal medicinal products.
Recommended storage conditions: store in a tightly sealed container in a cool, dry, well-ventilated area, protected from light, moisture, and air. The compound is typically supplied with TBC (tert-butylcatechol) as a stabilizer to inhibit unwanted polymerization. Personal protective equipment (PPE) — including chemical-resistant gloves, safety glasses, and appropriate laboratory attire — is recommended during handling. The compound should be kept away from strong oxidizing agents and strong acids.
In the European Union, 1′-hydroxyestragole is subject to REACH regulations; importers and manufacturers must provide Safety Data Sheets (SDS). In the United States, the compound is regulated under TSCA as a research chemical. In China, the compound is listed in the Inventory of Existing Chemical Substances (IECSC) and requires safety production licenses for manufacturing facilities. HS code for import/export: 2909499000.
Environmentally, the compound requires responsible handling and disposal in accordance with environmental regulations. As with all chemical research intermediates, manufacturing processes generate solvent-containing waste streams requiring proper treatment.
Future Outlook
The market outlook for 1′-hydroxyestragole is tied to three core drivers: (1) sustained growth in global demand for high-purity analytical reference standards in toxicology and metabolism research, driven by increasing regulatory requirements for safety assessment of food additives, herbal medicinal products, and environmental chemicals; (2) expanding research into the mechanisms of chemical carcinogenesis and DNA adduct formation, where 1′-hydroxyestragole serves as a critical tool compound; and (3) growing interest in phenylpropanoid metabolism and the development of new research methodologies for genotoxicity assessment. The compound‘s role as the primary proximate carcinogenic metabolite of estragole positions it for steady demand as regulatory agencies and research institutions continue to investigate the safety of estragole-containing products. Challenges include: the specialized nature of the compound limiting the number of end-users, competition from alternative research intermediates for genotoxicity studies, and the need for continued investment in high-purity production and quality control. Enterprises should focus on securing high-purity (≥98%) production capabilities, maintaining rigorous impurity documentation for global regulatory filings, ensuring compliance with REACH and TSCA requirements, and building long-term supply partnerships with research institutions, pharmaceutical companies, and contract research organizations (CROs).
Shanghai XinChem Co., Ltd. (XinChem)
As a world-leading supplier of research intermediates, pharmaceutical building blocks, and specialty chemicals, Shanghai XinChem Co., Ltd. (XinChem) has always focused on the innovative needs of the pharmaceutical research, toxicology, and chemical research industries. Relying on core advantages in organic synthesis, quality control, and global logistics, we provide high-quality 1′-Hydroxyestragole (CAS 51410-44-7) to global customers. Our product is manufactured under strict quality management, achieving consistent specifications for research and analytical grades. Fully compliant with international quality standards, it is an ideal research intermediate for toxicology studies, metabolism research, DNA adduct studies, and analytical reference standards.
1. Technical Advantages
High Purity & Consistency: Our 1′-hydroxyestragole achieves purity levels of ≥95-98% (verified by GC/HPLC analysis), supplied as a clear to pale yellow liquid, molecular weight 164.20 g/mol, molecular formula C₁₀H₁₂O₂, InChIKey RUPMSBPCFQDMAY-UHFFFAOYSA-N.
Low Impurity Profile: Strict control of residual solvents, heavy metals, and related substances ensures high performance for research and analytical applications.
Multiple Grades Available: We offer research grade (for laboratory and R&D applications) and high-purity grade (for analytical reference standards and advanced research). Stabilized grades with TBC are available upon request.
Batch-to-Batch Uniformity: Rigorous analytical testing (GC, HPLC, NMR, density, refractive index) guarantees consistent quality and reproducible performance across all production lots.
2. Product Advantages
Critical Research Intermediate: Directly used in toxicology and metabolism studies (estragole bioactivation pathways, sulfotransferase-mediated DNA adduct formation), analytical reference standards (method development, method validation, quality control for genotoxicity studies), DNA adduct research (synthesis of reactive ester derivatives), and pharmaceutical research (biological activity studies, cancer cell growth inhibition studies).
Proven Research Utility: Serves as the primary proximate carcinogenic metabolite of estragole, making it an essential tool compound for understanding chemical carcinogenesis mechanisms.
Flexible Packaging: 10mg, 25mg, 50mg, 100mg, 500mg (R&D); 1g, 5g, 10g, 25g (bulk research); full custom packaging available.
Reliable Supply Chain: Annual capacity in the multi-kilogram range, with dedicated temperature-controlled warehousing (cool, dry, light-protected, sealed containers) and just-in-time delivery capabilities.
3. Application Fields
- Toxicology & Metabolism Research: Estragole bioactivation studies, cytochrome P450-mediated hydroxylation research, sulfotransferase conjugation studies, species difference investigations in carcinogen metabolism.
- Analytical Reference Standards: Method development and validation for genotoxicity studies, quality control applications, analytical reference standard for metabolism studies.
- DNA Adduct Research: Key intermediate for synthesizing reactive ester derivatives (e.g., 1′-acetoxyestragole), DNA adduct formation studies, genotoxicity mechanism research.
- Pharmaceutical Research: Biological activity studies, antioxidant property investigations, cancer cell growth inhibition research.
- Academic Research: Methodology development, chemical biology studies, phenylpropanoid metabolism research.
4. Service Support
Our technical team provides research application guidance, impurity profiling, custom packaging, and regulatory documentation (Certificate of Analysis, Technical Data Sheet, Safety Data Sheet, REACH compliance, TSCA certification). We offer just-in-time delivery and custom synthesis of phenylpropanoid derivatives upon request.
5. Why Choose XinChem
- Professionalism: 20+ years in the pharmaceutical research, toxicology, and specialty chemical industries.
- Flexibility: Tailored to customer purity specifications, grade requirements, packaging sizes, and regulatory documentation needs.
- Cost-effectiveness: High quality at competitive research pricing.
Contact us now to start cooperation!
Website: www.xinchem.com
Email: sales1@xinchem.com
WhatsApp: +86 18049800532
Post time: Aug-02-2026