In the realm of specialty chemicals, understanding the molecular structure and chemical properties of a compound is fundamental to its effective application. 3,7-Dimethyl-7-hydroxyoctanal (CAS 107-75-5), widely known in the fragrance industry as Hydroxycitronellal, is a prime example of a molecule whose structure dictates its value. As a dedicated chemical manufacturer, we provide detailed insights into this important compound.

Molecular Structure and Nomenclature

The chemical name, 3,7-Dimethyl-7-hydroxyoctanal, precisely describes the molecule's architecture. It is an eight-carbon chain (octanal) featuring an aldehyde functional group (-CHO) at one end. Key structural elements include:

  • Aldehyde Group: The -CHO group is central to its reactivity and olfactory properties.
  • Hydroxyl Group: A hydroxyl (-OH) group is present at the 7th carbon.
  • Methyl Groups: Two methyl (-CH₃) groups are attached, one at the 3rd carbon and another at the 7th carbon.

The presence of an asymmetric carbon atom at the 3rd position means 3,7-Dimethyl-7-hydroxyoctanal exists as enantiomers, though for most practical applications, the racemic mixture is utilized. Its molecular formula is C₁₀H₂₀O₂, and its molecular weight is approximately 172.26 g/mol.

Synthesis Routes and Manufacturing

Industrially, 3,7-Dimethyl-7-hydroxyoctanal is primarily synthesized from citronellal. One common route involves the acid-catalyzed hydration of citronellal. Another established method involves the formation of an oxazolidine intermediate by reacting citronellal with a secondary amine, followed by acid hydrolysis. These synthesis routes are carefully controlled by manufacturers to ensure high yields and purity, critical for its downstream applications in flavors, fragrances, and cosmetics.

Physicochemical Properties

The physical properties of 3,7-Dimethyl-7-hydroxyoctanal are essential for formulators:

  • Appearance: It is typically a clear, colorless to pale yellow liquid.
  • Odor: Possesses a distinct sweet, floral aroma, often described as lily-like or reminiscent of muguet.
  • Boiling Point: Approximately 251.6 °C at 760 mmHg.
  • Flash Point: Around 103.8 °C, indicating it is a combustible liquid requiring careful handling.
  • Density: Approximately 0.912 g/cm³ at room temperature.
  • Solubility: Generally insoluble in water but soluble in organic solvents and alcohols, which is typical for many fragrance ingredients.

Safety and Regulatory Aspects

While generally recognized as safe (GRAS) for use as a flavoring agent by bodies like FEMA and JECFA, 3,7-Dimethyl-7-hydroxyoctanal is identified by IFRA as a potential sensitizer. This leads to concentration restrictions in cosmetic and fragrance products to prevent adverse skin reactions. Understanding these regulatory landscapes is crucial for formulators and highlights the importance of sourcing from suppliers who are knowledgeable about these standards.

Your Trusted Chemical Supplier

As a leading manufacturer and supplier of fine chemicals, we are dedicated to providing 3,7-Dimethyl-7-hydroxyoctanal (CAS 107-75-5) with exceptional purity and detailed technical specifications. We offer competitive pricing for bulk purchases and ensure a consistent supply for your production needs. If you are seeking a reliable source for this versatile aroma chemical, please contact us for a quote and further information on our manufacturing capabilities.