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Send EmailAnethole, Isoestragole, Anise Camphor, Aniseed Oil, Star Anise Essential Oil, E1517, 104-46-1
ANETHOLE – ANETOL
CAS Number: 104-46-1
EC Number (EINECS): 203-205-5
Molecular Formula: C₁₀H₁₂O
Molecular Weight: 148.20 g/mol
FEMA Number: 2086
Chemical Class: Phenylpropanoid (propenylbenzene ether)
E Number: E1517
SECTION 1: CHEMICAL IDENTITY AND DEFINITION
| Parameter | Information |
|---|---|
| Chemical Name (IUPAC) | 1-Methoxy-4-[(E)-prop-1-enyl]benzene |
| Other Names | Anethole, Anise Camphor, p-Propenylanisole, trans-Anethole, Isoestragole, Aniseed Oil Component, Star Anise Essential Oil Component |
| Chemical Formula | C₁₀H₁₂O |
| Molecular Weight | 148.20 g/mol |
| CAS Number | 104-46-1 |
| EC Number (EINECS) | 203-205-5 |
| FEMA Number | 2086 |
| E Number | E1517 (Food additive) |
| Chemical Class | Phenylpropanoid (propenylbenzene ether) |
| Appearance | Colorless to pale yellow, clear liquid |
| Odor | Sweet, anise-like, licorice-like, characteristic |
| Taste | Sweet, anise-like, licorice-like |
| Physical State (20°C) | Liquid (solidifies at 21°C) |
| Source | Anise, star anise, fennel, basil |
| Isomerism | trans-Anethole (natural, primary), cis-Anethole |
SECTION 2: PHYSICAL PROPERTIES
| Property | Value |
|---|---|
| Appearance | Colorless to pale yellow, clear liquid |
| Odor | Sweet, anise-like, licorice-like |
| Taste | Sweet, anise-like, licorice-like |
| Molecular Weight | 148.20 g/mol |
| Melting Point | 20 – 21 °C |
| Boiling Point | 234 – 235 °C |
| Flash Point | 91 °C (closed cup) |
| Density (20°C) | 0.988 g/cm³ |
| Refractive Index (nD²⁰) | 1.557 – 1.561 |
| Solubility in Water | Insoluble (~0.1 g/L) |
| Solubility in Ethanol | Miscible |
| Solubility in Oils | Miscible |
| Solubility in Organic Solvents | Miscible (ether, chloroform, hexane) |
| Log P (octanol/water) | 3.13 |
| Vapor Pressure (25°C) | ~0.05 mmHg |
| Autoignition Temperature | ~300 °C |
| Purity | ≥ 99.0% |
SECTION 3: CHEMICAL PROPERTIES
| Property | Information |
|---|---|
| Chemical Formula | C₁₀H₁₂O |
| Molecular Weight | 148.20 g/mol |
| Chemical Class | Phenylpropanoid (propenylbenzene ether) |
| Functional Groups | Ether (-OCH₃), alkene (-CH=CH-) |
| Structure | Benzene ring with methoxy and propenyl substituents (para) |
| SMILES | COC1=CC=C(C=C1)C=CC |
| InChI Key | RUVINXPYWBROJD-UHFFFAOYSA-N |
| Isomerism | trans (E) and cis (Z) isomers exist |
| Natural Form | trans-Anethole (primary, ≥99%) |
| Stability | Stable under normal storage conditions |
| Oxidation | Slowly oxidizes in air; may form anisic acid |
| Photodegradation | Sensitive to UV light; may isomerize |
| Incompatible Materials | Strong oxidizing agents, strong acids, strong bases |
Chemical Structure:
OCH₃
|
C₆H₄-CH=CH-CH₃
|
1-Methoxy-4-(prop-1-enyl)benzene
(Anethole)
SECTION 4: ISOMERS AND RELATED COMPOUNDS
| Compound | CAS Number | Structure | Odor Profile |
|---|---|---|---|
| trans-Anethole | 104-46-1 | para-propenyl anisole (E) | Sweet, anise, licorice |
| cis-Anethole | 25679-28-1 | para-propenyl anisole (Z) | Less sweet, more herbal |
| Estragole | 140-67-0 | para-allyl anisole | Sweet, anise (lighter) |
| Safrole | 94-59-7 | methylenedioxy allylbenzene | Sassafras, spicy |
| Eugenol | 97-53-0 | allyl guaiacol | Clove, spicy |
SECTION 5: NATURAL SOURCES
| Source | Anethole Content (%) | Description |
|---|---|---|
| Star Anise (Illicium verum) | 80-95% | Primary commercial source |
| Anise (Pimpinella anisum) | 70-90% | Traditional source |
| Fennel (Foeniculum vulgare) | 50-80% | Major source |
| Basil (Ocimum basilicum) | 5-15% | Minor source |
| Tarragon (Artemisia dracunculus) | 1-5% | Trace amount |
SECTION 6: SENSORY PROPERTIES
| Parameter | Description |
|---|---|
| Primary Odor | Sweet, anise-like, licorice-like |
| Secondary Odor | Spicy, slightly woody, warm |
| Odor Intensity | Strong |
| Taste Profile | Sweet, anise-like, licorice-like |
| Flavor Characteristics | Sweet anise, black licorice, warm |
| Threshold (in water) | ~0.01-0.1 ppm |
Olfactory Description:
Anethole has a characteristic sweet, anise-like, licorice-like odor with warm, spicy undertones. It is the primary aroma component of anise, star anise, and fennel. It provides the characteristic "black licorice" note in many flavors and fragrances.
SECTION 7: APPLICATION AREAS
7.1. Flavor and Fragrance Industry
| Application | Function |
|---|---|
| Flavorings | Sweet anise, licorice note (FEMA 2086) |
| Perfumes | Sweet, anise-like, warm note |
| Cosmetic Products | Fragrance component |
| Soaps | Fragrance component |
| Fine Fragrances | Sweet, anise note |
| Air Fresheners | Sweet, warm scent |
| Essential Oils | Component of anise, star anise, fennel oils |
7.2. Food Industry
| Application | Function |
|---|---|
| Flavoring Agent | Natural flavor component (FEMA 2086) |
| Licorice Flavors | Black licorice note |
| Anise Flavors | Sweet anise note |
| Beverages | Anise, licorice flavor |
| Confectionery | Sweet anise flavor |
| Baked Goods | Anise, licorice flavor |
| Dairy Products | Anise flavor |
| Alcoholic Beverages | Anise-based spirits (ouzo, rakı, sambuca, absinthe) |
| Ice Cream | Anise flavor |
| Chewing Gum | Licorice/anise flavor |
7.3. Pharmaceutical Applications
| Application | Function |
|---|---|
| Cough Syrups | Flavoring, expectorant |
| Throat Lozenges | Flavoring |
| Digestive Aids | Carminative, flavoring |
| Mouthwashes | Flavoring, breath freshening |
7.4. Cosmetic and Personal Care
| Application | Function |
|---|---|
| Fragrances | Sweet, anise note |
| Skin Care | Fragrance component |
| Hair Care | Fragrance component |
SECTION 8: ANISEED OIL COMPOSITION
| Component | Role | Typical Ratio |
|---|---|---|
| trans-Anethole | Primary anise note | 80-95% |
| Estragole | Sweet, anise note | 2-8% |
| Limonene | Citrus, fresh note | 1-5% |
| Linalool | Floral, fresh note | 1-3% |
| Pinene | Pine, fresh note | 1-2% |
SECTION 9: QUALITY SPECIFICATIONS
| Parameter | Specification (FCC / JECFA) |
|---|---|
| Appearance | Colorless to pale yellow, clear liquid |
| Identification | Positive (GC, IR) |
| Assay (GC) | ≥ 99.0% |
| Freezing Point | ≥ 20 °C |
| Refractive Index (nD²⁰) | 1.557 – 1.561 |
| Specific Gravity (20°C) | 0.983 – 0.988 |
| Acid Value | ≤ 1.0 |
| Heavy Metals (as Pb) | ≤ 10 ppm |
| Lead (Pb) | ≤ 2 ppm |
| Arsenic (As) | ≤ 3 ppm |
| Mercury (Hg) | ≤ 1 ppm |
| Cadmium (Cd) | ≤ 1 ppm |
| Related Substances | ≤ 1.0% |
| Water Content | ≤ 0.1% |
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 (amber glass) |
| Protect From | Light (UV photodegradation), air (oxidation), heat, strong oxidizing agents, strong acids |
| Shelf Life | 24-48 months (unopened original packaging) |
| Stability Note | Solidifies below 20°C; warm to remelt if needed |
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 |
| Steel drum | 200-250 kg | Stainless steel |
SECTION 12: SAFETY AND HEALTH INFORMATION
GHS Classification
| Hazard Class | Category |
|---|---|
| Skin Irritation | Category 2 (H315) |
| Eye Irritation | Category 2A (H319) |
| Skin Sensitization | Category 1 (H317) |
| Aquatic Toxicity (Chronic) | Category 3 (H412) |
| Signal Word | Warning |
Hazard Statements (H-Codes)
| Code | Statement |
|---|---|
| H315 | Causes skin irritation |
| H317 | May cause an allergic skin reaction |
| H319 | Causes serious eye irritation |
| H412 | Harmful to aquatic life with long lasting effects |
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) | 2,090 mg/kg |
| Dermal LD50 (Rabbit) | > 5,000 mg/kg |
| Skin Irritation | Mild irritant |
| Eye Irritation | Mild irritant |
| Skin Sensitization | May be sensitizing |
| 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 (E1517) |
| USA (FDA) | GRAS (21 CFR 172.515) |
| Turkey | Approved (food and cosmetic) |
| JECFA | Approved |
| FEMA | GRAS (FEMA 2086) |
| 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 | 91 °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 | Anetol, Anason Kafuru, Anason Yağı, Yıldız Anason Yağı |
| English Names | Anethole, Anise Camphor, p-Propenylanisole, trans-Anethole, Isoestragole |
| Chemical Names | 1-Methoxy-4-(prop-1-enyl)benzene |
| E Number | E1517 |
| CAS Number | 104-46-1 |
| EC Number | 203-205-5 |
| FEMA Number | 2086 |
| PubChem CID | 637563 |
SECTION 20: SUMMARY AND CRITICAL NOTES
Product Summary
| Parameter | Value |
|---|---|
| Product | Anethole |
| CAS Number | 104-46-1 |
| E Number | E1517 |
| Appearance | Colorless to pale yellow liquid |
| Odor | Sweet, anise-like, licorice-like |
| Melting Point | 20-21 °C |
| Boiling Point | 234-235 °C |
| Primary Function | Flavoring, fragrance component |
Critical Notes
-
Natural Source: Anethole is the primary aroma component of anise, star anise (80-95%), and fennel (50-80%).
-
Licorice Note: Provides the characteristic sweet black licorice flavor and fragrance note.
-
Anise Spirits: Essential component of anise-based alcoholic beverages (ouzo, rakı, sambuca, absinthe).
-
E1517: Approved as food flavoring additive in the EU.
-
GRAS Status: Recognized as GRAS by FDA (21 CFR 172.515).
-
trans-Anethole: The trans (E) isomer is the naturally occurring and most valuable form.
-
Solid Below 20°C: Solidifies at room temperature; warm to remelt if needed.
-
Sensitive to Light: UV light may cause isomerization and degradation; store in amber glass.
-
Safety: Generally safe at low concentrations; may cause skin sensitization in susceptible individuals.
-
Regulatory Status: Approved in food, beverage, 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.
