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Hexachlorobutadiene

Updated: 2026-08-07

Overview

Hexahydro-3a,7a-dimethyl-4,7-methano-1H-inden-1-one is a bicyclic ketone compound primarily valued in the fragrance industry. As an intermediate in the synthesis of Ambroxan, it contributes to warm, ambery olfactory notes in perfumery. The compound was first developed in the mid-20th century as part of research into synthetic alternatives to natural ambergris. Its molecular structure combines cyclopentane and cyclohexane rings with a ketone functional group, creating stability and volatility properties ideal for fragrance applications.

Physical and Chemical Properties

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This compound exhibits typical ketone characteristics with moderate polarity. The bicyclic structure contributes to its relatively high boiling point and low water solubility, making it suitable for oil-based fragrance formulations. Key stability aspects include resistance to hydrolysis and moderate thermal stability. However, like most ketones, it may undergo oxidation under extreme conditions. The molecular symmetry contributes to its clean odor profile, free from unwanted side notes common in less refined fragrance chemicals.

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Main Applications

The primary use is in premium fragrance compositions, particularly for masculine and oriental perfume types. It serves as both a fixative and middle note in complex scent pyramids. In flavors, it finds limited use at very low concentrations to create marine or ambery nuances. The compound also has niche applications in specialty chemical synthesis, particularly in creating structurally complex molecules for pharmaceutical research.

Safety and Storage

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As a concentrated fragrance chemical, proper handling requires ventilation and skin protection. The material is not classified as highly hazardous but can cause irritation upon prolonged exposure. Storage should be in airtight containers, preferably under nitrogen blanket to prevent oxidation. Compatibility testing should precede storage in plastic containers, as some polymers may absorb the compound. Shelf life typically exceeds two years when stored properly.

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B2B Procurement Guide

Industrial buyers should prioritize suppliers with GMP certification for fragrance ingredients. Key specifications to verify include optical rotation (if applicable), GC purity, and residual solvent content. Bulk purchases (25kg+) typically offer 10-15% cost advantages. However, consider storage costs when ordering large quantities. Quality documentation should include Certificate of Analysis, Allergen Declaration, and IFRA Compliance Statement for fragrance applications.

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