📌Basic Information
| Product name | 3-HYDROXY-3-METHYLHEXANOIC ACID |
| Synonym | 3-HYDROXY-3-METHYLHEXANOIC ACID;3-hydroxy-3-methylcaproicacid;3-Methyl-3-hydroxyhexanoic acid |
| CAS NO. | 58888-76-9 |
| Appearance | Colorless viscous liquid |
| Content | ≥96.0% |
| MF | C7H14O3 |
| MW | 146.18 |
| Related categories | Intermediate; Fine chemical raw material; Organic chemistry |
| Transport Information | no dangerous goods |
| HS Code | 2932999099 |
| Application | Pharmaceutical intermediates, flavorings |
| Packaging | 1g/bottle；5g/bottle；100g/bottle |
| Contact Info | lucy@coreychem.com |
✨Core Characteristics and Properties
Unique Molecular Structure:
It is a β-hydroxy acid and simultaneously an α-branched acid. This structure combines the polarity and reactivity of the hydroxyl group with the steric hindrance and hydrophobicity imparted by the branched chain.
Multiple Chiral Centers:
The molecule contains one chiral carbon atom (the carbon linking the hydroxyl and methyl groups), resulting in two enantiomers: (R) and (S). Their physiological activity, aromatic characteristics, and application properties may differ significantly based on stereochemistry, representing one of its most critical features.
Aromatic Characteristics:
This compound or its ester derivatives serve as key fragrance components. They are often described as possessing fruity, green, or tropical fruit aromas (e.g., pineapple, mango), with subtle woody or spicy undertones. Its intense and long-lasting fragrance makes it a valuable ingredient in premium cosmetic and food flavorings.
Biological Activity and Natural Occurrence:
As a short-chain hydroxy acid, it participates in metabolic pathways within organisms (e.g., leucine catabolism).
It serves as a component of insect pheromones and plant volatiles, and functions as a flavor compound in certain fermentation products.
Chemical Reactivity:
Carboxyl group: Capable of undergoing esterification, amidation, reduction, and other reactions.
Hydroxyl group: Capable of oxidation, etherification, acylation, and other reactions.
As a β-hydroxy acid, it may undergo dehydration reactions under certain conditions to form unsaturated acids.
📊Primary Applications
Flavor and Fragrance Industry (Core Applications):
As a direct flavor material for formulating fruit-type and tropical fruit-type food flavorings and cosmetic fragrances.
As a key intermediate for synthesizing other high-value aromatic ester compounds (e.g., methyl/ethyl 3-hydroxy-3-methylhexanoate).
Pharmaceutical and Pesticide Intermediates:
Its unique chiral structure enables its use in synthesizing bioactive pharmaceutical molecules or chiral pesticides.
Fine Chemicals and Materials Science:
Serves as a building block for synthesizing specialty polymer monomers, chiral ligands, or liquid crystal materials.
Scientific Research:
Employed in metabolic studies, chiral synthetic methodology development, and research into olfactory receptor mechanisms.
📦Transportation, Storage, and Safety Information
Packaging: Typically packaged in brown glass bottles, aluminum bottles, or stainless steel containers lined with plastic bags or sealed with polytetrafluoroethylene. For bulk transportation, specialized corrosion-resistant metal drums or IBC ton containers may be used. Ensure strict sealing to prevent moisture absorption and oxidation.
Storage Conditions:
Cool, Dark Storage: Recommended storage at 2-8°C in a refrigerated, light-protected environment. For long-term preservation or high purity requirements, consider storage under an inert atmosphere (nitrogen or argon).
Moisture Protection: Keep dry to prevent moisture absorption.
Shelf Life: Typically 1-2 years under recommended conditions. Inspect color, odor, and purity before use.
Transport Classification:
Based on its specific form (liquid/solid) and measured physicochemical hazards (e.g., corrosivity, flash point), this product is generally not classified as high-risk dangerous goods for transport. However, all chemical shipments must comply with local and international regulations (e.g., China’s List of Dangerous Goods, ADR/RID, IMDG Code, IATA).
During transport, ensure containers are sturdy and well-sealed, and avoid exposure to high temperatures, direct sunlight, and severe impact.
Safety and Handling:
Corrosivity and Irritation: As an organic acid, it may cause irritation or corrosion to eyes, skin, and respiratory mucous membranes.
Personal Protection: Wear chemical-resistant gloves and safety goggles/face shield during handling. Operate under a fume hood or in a well-ventilated area. Avoid inhaling vapors or aerosols.
Emergency Response:
If skin or eye contact occurs, immediately flush with copious amounts of water for at least 15 minutes and seek medical attention.
Waste Disposal:
Dispose of in accordance with national or local regulations for chemical waste; do not discharge indiscriminately.
