We unleash your business potential by maximize the business innovation.
Send EmailHexenyl Acetate, Leaf Acetate, Green Leaf Acetate, 3681-71-8
CIS-3-HEXENYL ACETATE – CİS-3-HEKSENİL ASETAT
CAS Number: 3681-71-8
EC Number (EINECS): 222-960-1
Molecular Formula: C₈H₁₄O₂
Molecular Weight: 142.20 g/mol
FEMA Number: 3171
Chemical Class: Ester (unsaturated fatty acid ester)
SECTION 1: CHEMICAL IDENTITY AND DEFINITION
| Parameter | Information |
|---|---|
| Chemical Name (IUPAC) | (Z)-Hex-3-en-1-yl acetate |
| Other Names | cis-3-Hexenyl acetate, (Z)-3-Hexenyl acetate, 3-Hexen-1-ol acetate, Leaf Acetate, Green Leaf Acetate |
| Chemical Formula | C₈H₁₄O₂ |
| Molecular Weight | 142.20 g/mol |
| CAS Number | 3681-71-8 |
| EC Number (EINECS) | 222-960-1 |
| FEMA Number | 3171 |
| Chemical Class | Ester (unsaturated fatty acid ester) |
| Appearance | Colorless to pale yellow, clear liquid |
| Odor | Fresh, green, leafy, fruity, banana-like, apple-like |
| Taste | Green, fruity, fresh |
| Physical State (20°C) | Liquid |
| Source | Tea plant (Camellia sinensis), perilla, various fruits |
| E Number | Not assigned |
SECTION 2: PHYSICAL PROPERTIES
| Property | Value |
|---|---|
| Appearance | Colorless to pale yellow, clear liquid |
| Odor | Fresh, green, leafy, fruity, banana-like |
| Taste | Green, fruity, fresh |
| Molecular Weight | 142.20 g/mol |
| Boiling Point | 75 – 76 °C (at 23 mmHg) |
| Boiling Point (760 mmHg) | ~183 °C |
| Density (25°C) | 0.897 g/cm³ |
| Refractive Index (nD²⁰) | 1.427 – 1.429 |
| Flash Point | ~58 °C (closed cup) |
| Solubility in Water | Slightly soluble (~0.5 g/L) |
| Solubility in Ethanol | Miscible |
| Solubility in Oils | Miscible |
| Solubility in Organic Solvents | Miscible (ether, chloroform, hexane) |
| Log P (octanol/water) | 2.56 |
| Vapor Pressure (25°C) | ~0.5 mmHg |
| Purity | ≥ 98.0% |
SECTION 3: CHEMICAL PROPERTIES
| Property | Information |
|---|---|
| Chemical Formula | C₈H₁₄O₂ |
| Molecular Weight | 142.20 g/mol |
| Chemical Class | Ester (unsaturated fatty acid ester) |
| Functional Groups | Ester (-COO-) |
| Structure | Acetic acid ester of cis-3-hexen-1-ol |
| SMILES | CC(=O)OCC/C=C\CC |
| InChI Key | VXRUPLVVDQKRCG-ARJAWSKDSA-N |
| Isomerism | cis (Z) and trans (E) isomers exist |
| Stability | Stable under normal storage conditions |
| Hydrolysis | Hydrolyzes in presence of strong acids or bases |
| Oxidation | Slowly oxidizes in air |
| Incompatible Materials | Strong oxidizing agents, strong acids, strong bases |
Chemical Structure:
O
||
CH₃-C-O-CH₂-CH₂-CH=CH-CH₂-CH₃
(cis configuration)
(Z)-Hex-3-en-1-yl acetate
(cis-3-Hexenyl acetate)
SECTION 4: ISOMERS
| Isomer | CAS Number | Odor Profile | Occurrence |
|---|---|---|---|
| cis-3-Hexenyl acetate (Z) | 3681-71-8 | Fresh, green, leafy, fruity | Natural (tea, perilla) |
| trans-3-Hexenyl acetate (E) | 3681-82-7 | Less green, more fruity | Synthetic |
| cis-2-Hexenyl acetate (Z) | 2497-18-9 | Green, fruity | Natural |
| Hexyl acetate | 142-92-7 | Fruity, sweet | Natural, synthetic |
SECTION 5: NATURAL SOURCES
| Source | Content | Description |
|---|---|---|
| Tea Plant (Camellia sinensis) | Significant | Key component of green tea aroma |
| Perilla (Perilla frutescens) | High | Major volatile compound |
| Green Apple | Moderate | Fresh green note |
| Banana | Moderate | Fruity, fresh note |
| Strawberry | Low | Fresh, green note |
| Tomato | Low | Green, fresh note |
| Lime | Low | Fresh, green note |
| Kiwi | Low | Green, fresh note |
SECTION 6: SENSORY PROPERTIES
| Parameter | Description |
|---|---|
| Primary Odor | Fresh, green, leafy |
| Secondary Odor | Fruity, banana-like, apple-like |
| Odor Intensity | Strong |
| Taste Profile | Green, fresh, fruity |
| Flavor Characteristics | Green apple, fresh grass, leafy |
| Threshold (in water) | ~0.1-1.0 ppm |
Olfactory Description:
cis-3-Hexenyl acetate is characterized by a fresh, green, leafy odor with a fruity, banana-like undertone. It provides the characteristic "green note" in many natural flavors and fragrances.
SECTION 7: APPLICATION AREAS
7.1. Flavor and Fragrance Industry
| Application | Function |
|---|---|
| Perfumes | Fresh, green, leafy note |
| Cosmetic Products | Fragrance component |
| Soaps | Fragrance component |
| Fine Fragrances | Green, fruity note |
| Air Fresheners | Fresh, green scent |
7.2. Food Industry
| Application | Function |
|---|---|
| Flavoring Agent | Natural flavor component (FEMA 3171) |
| Fruit Flavors | Green apple, banana, strawberry |
| Beverages | Fresh, green note |
| Confectionery | Fruity flavor enhancement |
| Dairy Products | Fresh, fruity note |
| Tea Flavors | Authentic green tea aroma |
| Ice Cream | Fruity flavor enhancement |
7.3. Beverage Industry
| Application | Function |
|---|---|
| Green Tea Beverages | Authentic tea aroma |
| Fruit Juices | Fresh, natural note |
| Soft Drinks | Fruity flavor enhancement |
SECTION 8: GREEN NOTE FLAVOR COMPOSITION
| Component | Role | Typical Ratio |
|---|---|---|
| cis-3-Hexenyl acetate | Primary green note | 30-60% |
| cis-3-Hexenol | Fresh green note | 10-30% |
| Hexyl acetate | Fruity green note | 5-20% |
| cis-3-Hexenyl butyrate | Sweet green note | 5-15% |
| Hexanal | Sharp green note | 1-5% |
SECTION 9: QUALITY SPECIFICATIONS
| Parameter | Specification (FCC / JECFA) |
|---|---|
| Appearance | Colorless to pale yellow, clear liquid |
| Identification | Positive (GC, IR) |
| Assay (GC) | ≥ 98.0% |
| Refractive Index (nD²⁰) | 1.427 – 1.429 |
| Specific Gravity (25°C) | 0.894 – 0.900 |
| Acid Value | ≤ 1.0 |
| Heavy Metals (as Pb) | ≤ 10 ppm |
| Lead (Pb) | ≤ 2 ppm |
| Arsenic (As) | ≤ 3 ppm |
| Mercury (Hg) | ≤ 1 ppm |
SECTION 10: STORAGE AND SHELF LIFE
| Parameter | Information |
|---|---|
| Storage Conditions | Cool (15-25°C), dry, well-ventilated area |
| Container Requirements | Tightly closed, light-resistant containers |
| Protect From | Light, air (oxidation), heat, strong oxidizing agents, strong acids, strong bases |
| Shelf Life | 24-48 months (unopened original packaging) |
| Stability Note | Slowly oxidizes in air; color may darken |
SECTION 11: PACKAGING OPTIONS
| Packaging Type | Quantity | Material |
|---|---|---|
| Glass bottle | 1-5 L | Amber glass |
| Plastic drum | 200-250 kg | HDPE |
| Plastic pail | 20-25 kg | HDPE |
| Aluminum foil bag | 1-5 kg | Laminated aluminum |
SECTION 12: SAFETY AND HEALTH INFORMATION
GHS Classification
| Hazard Class | Category |
|---|---|
| Flammable Liquid | Category 3 (H226) |
| Skin Irritation | Category 2 (H315) |
| Eye Irritation | Category 2A (H319) |
| Signal Word | Warning |
Hazard Statements (H-Codes)
| Code | Statement |
|---|---|
| H226 | Flammable liquid and vapor |
| H315 | Causes skin irritation |
| H319 | Causes serious eye irritation |
Precautionary Statements (P-Codes)
| Code | Statement |
|---|---|
| P210 | Keep away from heat/sparks/open flames |
| P261 | Avoid breathing vapors |
| P280 | Wear protective gloves/eye protection |
| P302+P352 | IF ON SKIN: Wash with plenty of soap and water |
| P305+P351+P338 | IF IN EYES: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing |
SECTION 13: TOXICOLOGICAL INFORMATION
| Parameter | Value |
|---|---|
| Oral LD50 (Rat) | > 5,000 mg/kg |
| Dermal LD50 (Rabbit) | > 2,000 mg/kg |
| Skin Irritation | Mild irritant |
| Eye Irritation | Mild irritant |
| Skin Sensitization | Non-sensitizer |
| Carcinogenicity | Not classified |
| Mutagenicity | Negative in standard tests |
| Target Organs | Skin, eyes |
SECTION 14: FIRST AID MEASURES
| Exposure Route | Action |
|---|---|
| Inhalation | Move to fresh air. If respiratory irritation persists, seek medical attention. |
| Skin Contact | Wash with plenty of soap and water. Remove contaminated clothing. |
| Eye Contact | Rinse immediately with plenty of water for at least 15 minutes. Seek medical attention. |
| Ingestion | Rinse mouth. Do not induce vomiting. Seek medical attention. |
SECTION 15: REGULATORY STATUS
| Region / Authority | Status |
|---|---|
| European Union | Approved as food flavoring |
| USA (FDA) | GRAS (21 CFR 172.515) |
| Turkey | Approved (food and cosmetic) |
| JECFA | Approved |
| FEMA | GRAS (FEMA 3171) |
| IFRA | Approved for use in fragrances |
SECTION 16: TRANSPORT INFORMATION
| Parameter | Information |
|---|---|
| UN Number | Not regulated (not dangerous goods) |
| Hazard Class | Not applicable |
| Packing Group | Not applicable |
| ADR/RID | Not regulated |
| IMDG Code | Not regulated |
| IATA (Air) | Not regulated |
| Marine Pollutant | No |
SECTION 17: FIRE-FIGHTING MEASURES
| Parameter | Information |
|---|---|
| Fire Hazard | Flammable liquid |
| Flash Point | ~58 °C |
| Suitable Extinguishing Media | CO₂, dry chemical powder, alcohol-resistant foam, water spray |
| Specific Hazards | When heated, emits CO, CO₂ |
| Decomposition Products | CO, CO₂ |
| Protective Equipment | Self-contained breathing apparatus (SCBA), full protective clothing |
SECTION 18: ACCIDENTAL SPILLAGE AND CLEANUP
| Parameter | Information |
|---|---|
| Personal Protection | Nitrile gloves, protective goggles, chemical-resistant clothing |
| Cleaning Methods | Absorb with inert material (sand, vermiculite); dispose in sealed containers |
| Environmental Precautions | Prevent entry into drains, soil, and surface waters |
| Waste Disposal | According to local regulations; incineration at licensed facilities |
SECTION 19: OTHER NAMES AND SYNONYMS
| Type | Name |
|---|---|
| Turkish Names | Heksenil Asetat, Heksenol Asetat, Yeşil Yaprak Aroması |
| English Names | cis-3-Hexenyl Acetate, (Z)-3-Hexenyl Acetate, Leaf Acetate, Green Leaf Acetate |
| Chemical Names | 3-Hexen-1-ol acetate, (Z)-Hex-3-en-1-yl acetate |
| CAS Number | 3681-71-8 |
| EC Number | 222-960-1 |
| FEMA Number | 3171 |
| PubChem CID | 5367372 |
SECTION 20: SUMMARY AND CRITICAL NOTES
Product Summary
| Parameter | Value |
|---|---|
| Product | cis-3-Hexenyl Acetate |
| CAS Number | 3681-71-8 |
| Appearance | Colorless to pale yellow liquid |
| Odor | Fresh, green, leafy, fruity |
| Boiling Point | 75-76 °C (23 mmHg) |
| Primary Function | Flavoring, fragrance component |
Critical Notes
-
Green Note: cis-3-Hexenyl acetate provides the characteristic "green leaf" note in flavors and fragrances.
-
Natural Source: Naturally found in tea plants, perilla, green apples, bananas, and strawberries.
-
FEMA GRAS: Approved as GRAS by FEMA (FEMA 3171) for food use.
-
Flavor Component: Widely used in green tea, fruit, and fresh flavors.
-
Fragrance Component: Used in perfumes and cosmetics for fresh, green notes.
-
Sensory Profile: Fresh, green, leafy odor with fruity, banana-like undertones.
-
cis Isomer: The cis (Z) isomer is the naturally occurring and most valuable form.
-
Flammable: Flammable liquid; store away from heat and open flames.
-
Stability: Stable under normal conditions; protect from air and light.
-
Regulatory Status: Approved in food, cosmetic, and fragrance industries.
IMPORTANT DECLARATION: This Technical Data Sheet (TDS) is for informational purposes only and has been prepared based on available technical data. The user is responsible for determining the product's suitability for their specific application and for complying with all local, national, and international regulations. For complete safety, storage, use, transport, waste, and regulatory compliance information, refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier.
