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Send Email3-Octanol, Octyl Alcohol, 3-Octyl Alcohol, Ethyl Amyl Carbinol, 589-98-0
3-OCTANOL – 3-OKTANOL
CAS Number: 589-98-0
EC Number (EINECS): 209-667-4
Molecular Formula: C₈H₁₈O
Molecular Weight: 130.23 g/mol
FEMA Number: 3583
Chemical Class: Saturated fatty alcohol
SECTION 1: CHEMICAL IDENTITY AND DEFINITION
| Parameter | Information |
|---|---|
| Chemical Name (IUPAC) | Octan-3-ol |
| Other Names | 3-Octanol, Octyl Alcohol, 3-Octyl Alcohol, 1-Hydroxy-3-octane, Ethyl Amyl Carbinol |
| Chemical Formula | C₈H₁₈O |
| Molecular Weight | 130.23 g/mol |
| CAS Number | 589-98-0 |
| EC Number (EINECS) | 209-667-4 |
| FEMA Number | 3583 |
| Chemical Class | Saturated fatty alcohol |
| Appearance | Colorless, clear liquid |
| Odor | Fresh, mushroom-like, earthy, herbal |
| Taste | Mushroom, earthy, herbal |
| Physical State (20°C) | Liquid |
| Source | Mushrooms (boletus, shiitake), Mentha arvensis |
| E Number | Not assigned |
SECTION 2: PHYSICAL PROPERTIES
| Property | Value |
|---|---|
| Appearance | Colorless, clear liquid |
| Odor | Fresh, mushroom-like, earthy, herbal |
| Taste | Mushroom, earthy, herbal |
| Molecular Weight | 130.23 g/mol |
| Boiling Point | 194 – 195 °C |
| Melting Point | -45 °C |
| Density (20°C) | 0.83 g/cm³ |
| Refractive Index (nD²⁰) | 1.430 – 1.432 |
| Flash Point | ~74 °C (closed cup) |
| Solubility in Water | Slightly soluble (~1.5 g/L) |
| Solubility in Ethanol | Miscible |
| Solubility in Oils | Miscible |
| Solubility in Organic Solvents | Miscible (ether, chloroform, hexane) |
| Log P (octanol/water) | 2.80 |
| Vapor Pressure (25°C) | ~0.3 mmHg |
| Purity | ≥ 98.0% |
SECTION 3: CHEMICAL PROPERTIES
| Property | Information |
|---|---|
| Chemical Formula | C₈H₁₈O |
| Molecular Weight | 130.23 g/mol |
| Chemical Class | Saturated fatty alcohol |
| Functional Groups | Alcohol (-OH) |
| Structure | Secondary alcohol; hydroxyl group at position 3 |
| SMILES | CCCCCC(CC)O |
| InChI Key | EKMVBPBEWMDDRL-UHFFFAOYSA-N |
| 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-CH₂-CH₂-CH₂-CH(OH)-CH₂-CH₃
Octan-3-ol
(3-Octanol)
SECTION 4: OCTANOL ISOMERS
| Isomer | CAS Number | Odor Profile | Use |
|---|---|---|---|
| 1-Octanol | 111-87-5 | Sweet, oily, floral | Flavor, solvent |
| 2-Octanol | 123-96-6 | Fruity, oily | Flavor, solvent |
| 3-Octanol | 589-98-0 | Mushroom, earthy, herbal | Flavor (primary) |
| 4-Octanol | 589-62-8 | Green, herbal | Flavor |
SECTION 5: NATURAL SOURCES
| Source | Content | Description |
|---|---|---|
| Boletus Mushroom (Boletus edulis) | High | Characteristic mushroom aroma |
| Shiitake Mushroom (Lentinula edodes) | High | Characteristic mushroom aroma |
| Forestiere Mushroom | Moderate | Characteristic mushroom aroma |
| Mentha arvensis | Low | Essential oil component |
| Various Mushrooms | Variable | Mushroom aroma |
SECTION 6: SENSORY PROPERTIES
| Parameter | Description |
|---|---|
| Primary Odor | Mushroom, earthy, herbal |
| Secondary Odor | Fresh, slightly oily |
| Odor Intensity | Moderate to strong |
| Taste Profile | Mushroom, earthy, herbal |
| Flavor Characteristics | Fresh mushroom, forest floor |
| Threshold (in water) | ~0.1-1.0 ppm |
Olfactory Description:
3-Octanol has a characteristic odor reminiscent of fresh mushrooms and forest floor. It is a key component of the natural aroma of mushrooms such as boletus and shiitake. Used to provide the "mushroom note" in the food and fragrance industry.
SECTION 7: APPLICATION AREAS
7.1. Flavor and Fragrance Industry
| Application | Function |
|---|---|
| Perfumes | Mushroom, earthy, herbal note |
| Cosmetic Products | Fragrance component |
| Soaps | Fragrance component |
| Fine Fragrances | Natural, earthy note |
| Air Fresheners | Fresh, earthy scent |
7.2. Food Industry
| Application | Function |
|---|---|
| Flavoring Agent | Natural mushroom flavor component (FEMA 3583) |
| Mushroom Flavors | Authentic mushroom taste |
| Gourmet Products | Natural and aromatic touch |
| Sauces | Mushroom flavor enhancement |
| Soups | Mushroom flavor |
| Snacks | Mushroom flavor |
7.3. Cosmetic and Personal Care
| Application | Function |
|---|---|
| Creams and Lotions | Unique fragrance |
| Skin Care | Fragrance component |
7.4. Chemical Synthesis
| Application | Function |
|---|---|
| Intermediate | Synthesis of other chemical compounds |
| Reagent | Organic synthesis |
SECTION 8: MUSHROOM FLAVOR COMPOSITION
| Component | Role | Typical Ratio |
|---|---|---|
| 3-Octanol | Primary mushroom note | 30-60% |
| 1-Octen-3-ol | Mushroom, earthy note | 20-40% |
| 3-Octanone | Mushroom, cheesy note | 5-15% |
| 1-Octanol | Oily, mushroom note | 5-10% |
| 2-Octen-1-ol | Green, mushroom note | 5-10% |
SECTION 9: QUALITY SPECIFICATIONS
| Parameter | Specification (FCC / JECFA) |
|---|---|
| Appearance | Colorless, clear liquid |
| Identification | Positive (GC, IR) |
| Assay (GC) | ≥ 98.0% |
| Refractive Index (nD²⁰) | 1.430 – 1.432 |
| Specific Gravity (20°C) | 0.825 – 0.830 |
| 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 |
| 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 |
|---|---|
| Skin Irritation | Category 2 (H315) |
| Eye Irritation | Category 2A (H319) |
| Signal Word | Warning |
Hazard Statements (H-Codes)
| Code | Statement |
|---|---|
| H315 | Causes skin irritation |
| H319 | Causes serious eye irritation |
Precautionary Statements (P-Codes)
| Code | Statement |
|---|---|
| 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) | ~3,000-4,000 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 3583) |
| 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 | Combustible liquid |
| Flash Point | ~74 °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 | Oktanol, Oktil Alkol, 3-Oktanol, Mantar Aroması |
| English Names | 3-Octanol, Octyl Alcohol, 3-Octyl Alcohol, Ethyl Amyl Carbinol |
| Chemical Names | Octan-3-ol, 1-Hydroxy-3-octane |
| CAS Number | 589-98-0 |
| EC Number | 209-667-4 |
| FEMA Number | 3583 |
| PubChem CID | 11570 |
SECTION 20: SUMMARY AND CRITICAL NOTES
Product Summary
| Parameter | Value |
|---|---|
| Product | 3-Octanol |
| CAS Number | 589-98-0 |
| Appearance | Colorless, clear liquid |
| Odor | Mushroom, earthy, herbal |
| Boiling Point | 194-195 °C |
| Primary Function | Flavoring, fragrance component |
Critical Notes
-
Mushroom Flavor: 3-Octanol is a key component of the characteristic aroma of mushrooms.
-
Natural Source: Naturally found in boletus, shiitake, forestiere mushrooms, and Mentha arvensis.
-
FEMA GRAS: Approved as GRAS by FEMA (FEMA 3583) for food use.
-
Flavor Component: Widely used in mushroom, gourmet, and herbal flavors.
-
Fragrance Component: Used in perfumes and cosmetics for earthy, natural notes.
-
Sensory Profile: Fresh mushroom, forest floor, herbal odor.
-
Secondary Alcohol: Secondary alcohol with hydroxyl group at position 3.
-
Stability: Stable under normal conditions; protect from air and light.
-
Slightly Soluble: Slightly soluble in water; miscible in organic solvents.
-
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.
