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Send EmailHexenol, 3-Hexenyl Alcohol, Green Leaf Alcohol, 928-96-1
CIS-3-HEXENOL – CİS-3-HEKSENOL
CAS Number: 928-96-1
EC Number (EINECS): 213-192-8
Molecular Formula: C₆H₁₂O
Molecular Weight: 100.16 g/mol
FEMA Number: 2563
Chemical Class: Unsaturated fatty alcohol
SECTION 1: CHEMICAL IDENTITY AND DEFINITION
| Parameter | Information |
|---|---|
| Chemical Name (IUPAC) | (Z)-Hex-3-en-1-ol |
| Other Names | cis-3-Hexenol, Leaf Alcohol, cis-3-Hexen-1-ol, (Z)-3-Hexenol, 3-Hexenyl Alcohol, Green Leaf Alcohol |
| Chemical Formula | C₆H₁₂O |
| Molecular Weight | 100.16 g/mol |
| CAS Number | 928-96-1 |
| EC Number (EINECS) | 213-192-8 |
| FEMA Number | 2563 |
| Chemical Class | Unsaturated fatty alcohol |
| Appearance | Colorless to pale yellow, oily liquid |
| Odor | Fresh green, grassy, leafy, characteristic |
| Taste | Green, grassy, fresh |
| Physical State (20°C) | Liquid |
| Source | Lavender, sweet grass, pineapple, blueberry, black currant, mango |
| E Number | Not assigned |
SECTION 2: PHYSICAL PROPERTIES
| Property | Value |
|---|---|
| Appearance | Colorless to pale yellow, oily liquid |
| Odor | Fresh green, grassy, leafy, characteristic |
| Taste | Green, grassy, fresh |
| Molecular Weight | 100.16 g/mol |
| Boiling Point | 156 – 157 °C |
| Melting Point | -61 °C |
| Density (20°C) | 0.846 g/cm³ |
| Refractive Index (nD²⁰) | 1.438 – 1.442 |
| Flash Point | ~56 °C (closed cup) |
| Solubility in Water | Slightly soluble (~10 g/L) |
| Solubility in Ethanol | Miscible |
| Solubility in Oils | Miscible |
| Solubility in Organic Solvents | Miscible (ether, chloroform, hexane) |
| Log P (octanol/water) | 1.60 |
| Vapor Pressure (25°C) | ~1.5 mmHg |
| Purity | ≥ 98.0% |
| Acid Value | ≤ 0.5 mg KOH/g |
SECTION 3: CHEMICAL PROPERTIES
| Property | Information |
|---|---|
| Chemical Formula | C₆H₁₂O |
| Molecular Weight | 100.16 g/mol |
| Chemical Class | Unsaturated fatty alcohol |
| Functional Groups | Alcohol (-OH), double bond (C=C) |
| Structure | Straight-chain alcohol with cis double bond at position 3 |
| SMILES | CC/C=C\CCO |
| InChI Key | UFLHIIWVXFIJGU-ARJAWSKDSA-N |
| Isomerism | cis (Z) and trans (E) isomers exist |
| Stability | Stable under normal storage conditions |
| Reactivity | Reacts with strong oxidizing agents, strong acids |
| Oxidation | Slowly oxidizes in air |
| Incompatible Materials | Strong oxidizing agents, strong acids, strong bases |
Chemical Structure:
CH₃-CH₂-CH=CH-CH₂-CH₂OH
(cis configuration)
(Z)-Hex-3-en-1-ol
(cis-3-Hexenol / Leaf Alcohol)
SECTION 4: ISOMERS
| Isomer | CAS Number | Odor Profile | Occurrence |
|---|---|---|---|
| cis-3-Hexenol (Z) | 928-96-1 | Fresh green, grassy, leafy | Natural (primary) |
| trans-3-Hexenol (E) | 928-97-2 | Less green, more fruity | Natural (minor) |
| cis-2-Hexenol (Z) | 928-94-9 | Green, fruity | Natural |
| Hexanol | 111-27-3 | Fruity, sweet | Natural, synthetic |
SECTION 5: NATURAL SOURCES
| Source | Content | Description |
|---|---|---|
| Lavender (Lavandula) | Moderate | Floral green note |
| Sweet Grass (Hierochloe odorata) | High | Characteristic coumarin-like green |
| Pineapple | Moderate | Fresh green note |
| Blueberry | Low | Fresh green note |
| Black Currant | Moderate | Leafy green note |
| Mango | Low | Fresh green note |
| Tea Leaves (Camellia sinensis) | High | Fresh green tea note |
| Tomato | Moderate | Fresh green note |
| Strawberry | Low | Fresh green note |
SECTION 6: SENSORY PROPERTIES
| Parameter | Description |
|---|---|
| Primary Odor | Fresh green, grassy, leafy |
| Secondary Odor | Slightly fruity, floral |
| Odor Intensity | Strong |
| Taste Profile | Green, fresh, grassy |
| Flavor Characteristics | Fresh cut grass, green leaves |
| Threshold (in water) | ~0.1-1.0 ppm |
Olfactory Description:
cis-3-Hexenol is characterized by a fresh, green, grassy odor reminiscent of freshly cut grass and green leaves. It provides the characteristic "green note" in many natural flavors and fragrances. It is often described as "leaf alcohol" due to its natural occurrence in plant tissues.
SECTION 7: APPLICATION AREAS
7.1. Flavor and Fragrance Industry
| Application | Function |
|---|---|
| Perfumes | Fresh green, leafy top note |
| Cosmetic Products | Fragrance component |
| Soaps | Fragrance component |
| Fine Fragrances | Green, natural note |
| Air Fresheners | Fresh, green scent |
| Detergents | Fresh green fragrance |
7.2. Food Industry
| Application | Function |
|---|---|
| Flavoring Agent | Natural flavor component (FEMA 2563) |
| Fruit Flavors | Green apple, strawberry, banana, citrus |
| Beverages | Fresh, green note |
| Confectionery | Green flavor enhancement |
| Dairy Products | Fresh, green note |
| Tea Flavors | Authentic green tea aroma |
7.3. Biological and Agricultural Applications
| Application | Function |
|---|---|
| Pheromone | Plant-insect communication |
| Biological Control | Natural insect attractant/repellent |
| Chemical Synthesis | Precursor for jasmon and methyl jasmonate |
SECTION 8: GREEN NOTE FLAVOR COMPOSITION
| Component | Role | Typical Ratio |
|---|---|---|
| cis-3-Hexenol | Primary green note | 30-60% |
| cis-3-Hexenyl acetate | Fruity green note | 10-30% |
| Hexanal | Sharp green note | 5-15% |
| trans-2-Hexenal | Intense green note | 5-15% |
| Hexanol | Soft green note | 5-10% |
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) | 1.438 – 1.442 |
| Specific Gravity (20°C) | 0.844 – 0.850 |
| Acid Value | ≤ 0.5 mg KOH/g |
| 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 |
| 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) |
| Acute Toxicity (Oral) | Category 4 (H302) |
| Skin Irritation | Category 2 (H315) |
| Eye Irritation | Category 2A (H319) |
| Signal Word | Warning |
Hazard Statements (H-Codes)
| Code | Statement |
|---|---|
| H226 | Flammable liquid and vapor |
| H302 | Harmful if swallowed |
| 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 |
| P301+P312 | IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell |
| 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) | ~2,500-3,500 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, respiratory system |
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 2563) |
| 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 | ~56 °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 | Heksenol, Heksil Alkol, Yaprak Alkolü, Yeşil Yaprak Aroması |
| English Names | cis-3-Hexenol, Leaf Alcohol, Green Leaf Alcohol, (Z)-3-Hexenol |
| Chemical Names | (Z)-Hex-3-en-1-ol, 3-Hexen-1-ol, Hex-3-en-1-ol |
| CAS Number | 928-96-1 |
| EC Number | 213-192-8 |
| FEMA Number | 2563 |
| PubChem CID | 5281167 |
SECTION 20: SUMMARY AND CRITICAL NOTES
Product Summary
| Parameter | Value |
|---|---|
| Product | cis-3-Hexenol (Leaf Alcohol) |
| CAS Number | 928-96-1 |
| Appearance | Colorless to pale yellow liquid |
| Odor | Fresh green, grassy, leafy |
| Boiling Point | 156-157 °C |
| Primary Function | Flavoring, fragrance component |
Critical Notes
-
Leaf Alcohol: cis-3-Hexenol is known as "leaf alcohol" due to its natural occurrence in green plant tissues.
-
Green Note: Provides the characteristic fresh, grassy, green note in flavors and fragrances.
-
Natural Source: Naturally found in lavender, sweet grass, pineapple, blueberry, and black currant.
-
FEMA GRAS: Approved as GRAS by FEMA (FEMA 2563) for food use.
-
Precursor: Used as a precursor for jasmon and methyl jasmonate synthesis.
-
Flavor Component: Widely used in green tea, fruit, and vegetable flavors.
-
Pheromone: Acts as a pheromone in plant-insect communication.
-
Fragrance Component: Used in perfumes and cosmetics for fresh green notes.
-
cis Isomer: The cis (Z) isomer is the naturally occurring and most valuable form.
-
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.
