Allyl Hexanoate (CAS 123-68-2): Comprehensive Technical Guide
Table of Contents
1. Chemical Profile & Specifications
| Parameter | Specification |
|---|---|
| CAS Number | 123-68-2 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.22 g/mol |
| Synonyms | Allyl Caproate, Pineapple Aldehyde, 2-Propenyl Hexanoate |
2. Key Physical & Chemical Properties
| Property | Value |
|---|---|
| Appearance | Colorless to pale yellow liquid |
| Odor | Characteristic pineapple aroma |
| Boiling Point | 186-188°C at 760 mmHg |
| Flash Point | 66°C (closed cup) |
| Density | 0.887 g/mL at 25°C |
| Refractive Index | n20/D: 1.422-1.426 |
| Solubility | Miscible with ethanol, ether; Insoluble in water |
3. Industrial Applications
Food Industry
• Primary flavor component in pineapple flavor formulations
• Modifier in apple, strawberry, and peach flavor systems
• Maximum usage levels:
– Chewing Gum: 210 ppm
– Confectionery: 32 ppm
– Baked Goods: 25 ppm
Fragrance Industry
• Base note in tropical fragrance compositions
• Enhancer in cologne and cosmetic formulations
4. Safety & Toxicology
| Test | Result |
|---|---|
| Acute Oral Toxicity (Rat LD50) | 500 mg/kg |
| Dermal Irritation | Mild irritation at 20mg/48H exposure |
| IFRA Compliance | Max 0.1% allyl alcohol content |
5. Commercial Specifications
| Grade | Purity | Packaging |
|---|---|---|
| Food Grade | ≥99.5% | 25kg polyethylene drums |
| Technical Grade | ≥98% | 200L stainless steel containers |
6. Supplier Information
Certified Manufacturers
• Shanghai Macklin Biochemical Co., Ltd.
– Certification: ISO 9001:2015
– MOQ: 25kg
– Lead Time: 2-4 weeks
• Hubei Vink Chemical Co., Ltd.
– Certification: Kosher, Halal
– MOQ: 50kg
– Specialty: Custom formulations
Technical Consultation & Ordering
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