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Send EmailBenzyl Benzoate, Phenylmethyl Benzoate, Benzyl Phenyl Formate, 120-51-4
BENZYL BENZOATE
PRODUCT IDENTIFIER INFORMATION
| Parameter | Information |
|---|---|
| Product Name | Benzyl Benzoate |
| Chemical Name (IUPAC) | Phenylmethyl Benzoate |
| CAS Number | 120-51-4 |
| EC Number (EINECS) | 204-402-9 |
| FEMA Number | 2138 |
| JECFA Number | 24 |
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.24 g/mol |
SECTION 1: CHEMICAL IDENTITY AND DESCRIPTION
| Parameter | Information |
|---|---|
| Chemical Name (IUPAC) | Phenylmethyl Benzoate |
| Systematic Name | Benzoic Acid Phenylmethyl Ester |
| Synonyms | Benzyl Benzoate, Benzyl Phenylformate, Benzyl Alcohol Benzoic Ester, Benzoic Acid Benzyl Ester, Benzyl Benzene Carboxylate, Phenylmethyl Benzoate |
| Trade Names | Ascabin, Benylate, Ascabiol, Scabagen, Vanzoate, Venzonate |
| CAS Number | 120-51-4 |
| EC Number (EINECS) | 204-402-9 |
| FEMA Number | 2138 |
| JECFA Number | 24 |
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.24 g/mol |
| Chemical Class | Organic ester (benzoic acid benzyl ester) |
| Physical State (20°C) | Liquid (colorless oily liquid; pure form is flaky crystalline solid below 17°C) |
| Odor | Weak balsamic, almond-like aroma |
| Appearance | Clear colorless transparent liquid; slightly viscous |
SECTION 2: PHYSICAL AND CHEMICAL PROPERTIES
| Property | Value | Test Method |
|---|---|---|
| Appearance | Clear colorless transparent oily liquid; slightly viscous | Visual |
| Color | Clear colorless | Visual |
| Odor | Weak balsamic, almond-like aroma | Olfactometric |
| Molecular Weight | 212.24 g/mol | Calculated |
| Melting/Freezing Point | 17 – 21°C (solidifies below this range) | DSC |
| Boiling Point | 323 – 324°C | ASTM D86 |
| Flash Point | 148°C (298°F) | ASTM D93 |
| Autoignition Temperature | 480°C (896°F) | ASTM E659 |
| Density (20°C) | 1.118 g/mL | ASTM D4052 |
| Refractive Index (nD20) | 1.568 – 1.570 | Refraktometri |
| Vapor Pressure (125°C) | 1 mmHg | ASTM D2879 |
| Solubility in Water | Practically insoluble | Genel Metot |
| Solubility in Ethanol | Miscible | Genel Metot |
| Solubility in Chloroform | Miscible | Genel Metot |
| Solubility in Ether | Miscible | Genel Metot |
| Solubility in Oils | Miscible | Genel Metot |
| Solubility in Glycerol | Insoluble | Genel Metot |
| Log P (Octanol/Water) | ~4 (at 20°C) | Hesaplanmış |
| Stability | Stable under normal conditions; light-sensitive; combustible |
SECTION 3: CHEMICAL PROPERTIES AND REACTIVITY
| Parameter | Information |
|---|---|
| Chemical Character | Organic ester; fixative and solvent |
| Stability | Stable under normal conditions; light-sensitive |
| Decomposition Products (Heating) | CO, CO2, irritating fumes |
| Incompatible Materials | Strong oxidizing agents, strong acids, strong bases |
| Reaction with Oxidizing Agents | Intense reaction with strong oxidizers |
| Hydrolysis | Slowly hydrolyzes in presence of strong acids or bases to benzoic acid and benzyl alcohol |
| Light Sensitivity | Sensitive to light; store in dark conditions |
| Volatility | Can volatilize with water vapor |
| Hazardous Polymerization | Does not occur |
SECTION 4: PRODUCTION METHODS
| Method | Description | Chemical Reaction |
|---|---|---|
| Transesterification | Ethyl benzoate reacted with benzyl alcohol in presence of sodium carbonate catalyst; ethanol removed by distillation; product purified by vacuum distillation | C6H5COOCH2CH3 + C6H5CH2OH → C6H5COOCH2C6H5 + CH3CH2OH |
| Benzaldehyde Condensation | Sodium metal dissolved in benzyl alcohol; benzaldehyde slowly added; reaction in water bath for 1-2 hours; oil layer separated, washed, and fractionated | 2C6H5CHO → C6H5COOCH2C6H5 |
| Sodium Benzoate Route | Sodium benzoate reacted with benzoyl chloride in presence of triethylamine | C6H5COONa + C6H5COCl → C6H5COOCH2C6H5 + NaCl |
| Natural Occurrence | Found naturally in Peruvian balsam, tuberose, carnation, and tolu balsam | - |
SECTION 5: BENZOATE ESTERS COMPARISON
| Property | Benzyl Benzoate | Methyl Benzoate | Ethyl Benzoate | Benzyl Acetate | Benzyl Salicylate |
|---|---|---|---|---|---|
| CAS Number | 120-51-4 | 93-58-3 | 93-89-0 | 140-11-4 | 118-58-1 |
| Molecular Formula | C14H12O2 | C8H8O2 | C9H10O2 | C9H10O2 | C14H12O3 |
| Molecular Weight | 212.24 | 136.15 | 150.17 | 150.17 | 228.24 |
| Boiling Point | 323-324°C | 199°C | 212°C | 213°C | 320°C |
| Odor | Balsamic, almond | Fruity, floral | Fruity, grape | Floral, jasmine | Mild floral, balsamic |
| Primary Use | Fixative, solvent, pharmaceutical | Flavor, solvent | Flavor, fragrance | Fragrance, flavor | Fragrance fixative, sunscreen |
| Water Solubility | Insoluble | Slightly soluble | Slightly soluble | Slightly soluble | Insoluble |
SECTION 6: FUNCTIONAL PROPERTIES AND MECHANISM OF ACTION
| Property | Description |
|---|---|
| Fragrance Fixative | Reduces evaporation rate of volatile fragrance components; extends longevity of perfume compositions |
| Solvent for Solid Aromatics | Excellent solvent for solid fragrances; dissolves 0.45 kg musk ambrette, 0.205 kg musk ketone, or 0.28 kg musk xylene per kg |
| Plasticizer | Used as plasticizer in cellulose acetate and other polymer systems |
| Scabicide (Pharmaceutical) | Active ingredient in scabies treatment; penetrates mite exoskeleton causing paralysis and death |
| Insect Repellent | Effective against certain insects; used in textile and agricultural applications |
| Dye Carrier (Textile) | Used as dye guide, leveling agent, and repair agent in textile auxiliaries, especially for polyester |
| Flavoring Agent | Used in food flavor formulations (strawberry, pineapple, cherry, etc.) |
| High-Boiling Solvent | High boiling point (323°C) makes it suitable as high-temperature solvent |
SECTION 7: PRIMARY APPLICATION AREAS
| Sector | Application | Typical Usage Rate |
|---|---|---|
| Fragrance Industry | Fixative in floral fragrances (jasmine, lily of the valley, ylang-ylang, gardenia, lilac, tuberose) | 1 – 30% of composition |
| Fragrance Industry | Solvent for solid aromatics (musk ambrette, musk ketone, musk xylene) | As required |
| Flavor Industry | Food flavoring: soft drinks (4.5 mg/kg), candy (39 mg/kg), baked goods (33 mg/kg), chewing gum (280 mg/kg), cold drinks (12 mg/kg) | Per FEMA limits |
| Pharmaceutical | Scabicide – scabies treatment lotion/cream | 10 – 25% topical |
| Pharmaceutical | Preparation of pertussis (whooping cough) medicine, asthma medicine | Formulation dependent |
| Pharmaceutical | Antispasmodic agent | Formulation dependent |
| Textile | Dye carrier, leveling agent, repair agent (especially polyester) | Variable |
| Industrial | Plasticizer for cellulose acetate | Variable |
| Agricultural | Pesticide intermediate | Variable |
| Cosmetic | Fragrance component in creams, lotions, and personal care products | 0.1 – 5% |
SECTION 8: QUALITY SPECIFICATIONS (TECHNICAL/FRAGRANCE GRADE)
| Parameter | Specification | Test Method |
|---|---|---|
| Appearance | Clear colorless transparent liquid | Visual |
| Odor | Weak balsamic, almond-like aroma | Olfactometric |
| Purity (Ester Content) | ≥ 99.0% | GC-FID |
| Acidity (as Benzoic Acid) | ≤ 0.1% | Titrimetric |
| Refractive Index (nD20) | 1.568 – 1.570 | Refraktometri |
| Density (20°C) | 1.116 – 1.120 g/mL | ASTM D4052 |
| Freezing Point | ≥ 17°C | DSC |
| Flash Point | ≥ 148°C | ASTM D93 |
| Water Content | ≤ 0.1% | Karl Fischer Titrasyonu |
| Heavy Metals (as Pb) | ≤ 10 ppm | ICP-MS |
| Lead (Pb) | ≤ 2 ppm | ICP-MS |
| Arsenic (As) | ≤ 3 ppm | ICP-MS |
| Color (APHA) | ≤ 50 | ASTM D1209 |
SECTION 9: TOXICOLOGICAL PROFILE
| Parameter | Value |
|---|---|
| Acute Oral Toxicity (LD50, Rat) | ~1,700 mg/kg |
| Acute Oral Toxicity (LD50, Mouse) | ~1,400 mg/kg |
| Acute Oral Toxicity (LD50, Rabbit) | ~1,800 mg/kg |
| Acute Oral Toxicity (LD50, Guinea Pig) | ~1,000 mg/kg |
| Acute Dermal Toxicity (LD50, Rabbit) | > 2,000 mg/kg |
| Skin Irritation | Mild irritant |
| Eye Irritation | Irritant (avoid eye contact) |
| Respiratory Irritation | May cause respiratory irritation |
| Carcinogenicity | Not classified (IARC, NTP) |
| Mutagenicity | Negative in standard tests |
| ADI (Acceptable Daily Intake) | 0 – 5 mg/kg (FAO/WHO, 1994) |
| Environmental Toxicity | Toxic to aquatic organisms (R51/53); may cause long-term adverse effects |
SECTION 10: GHS CLASSIFICATION AND LABELING
GHS Classification (compliant with 1272/2008/EC):
| Hazard Class | Category | H-Statement |
|---|---|---|
| Acute Toxicity (Oral) | Category 4 | H302 |
| Chronic Aquatic Toxicity | Category 2 | H411 |
Signal Word: WARNING
Hazard Pictograms: GHS07 (Exclamation Mark), GHS09 (Environmental Toxicity)
Hazard Statements (H-Codes):
| Code | Statement |
|---|---|
| H302 | Harmful if swallowed |
| H411 | Toxic to aquatic life with long lasting effects |
Precautionary Statements (P-Codes):
| Code | Statement |
|---|---|
| P264 | Wash hands thoroughly after handling |
| P270 | Do not eat, drink or smoke when using this product |
| P273 | Avoid release to the environment |
| P280 | Wear protective gloves/eye protection |
| P301+P312 | IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell |
| P391 | Collect spillage |
| P501 | Dispose of contents/container to approved waste disposal facility |
SECTION 11: FIRST AID MEASURES
| Exposure Route | Action to Take |
|---|---|
| Inhalation | Move to fresh air. Seek medical attention if respiratory irritation persists. |
| Skin Contact | Wash with plenty of water and soap. Remove contaminated clothing. Seek medical attention if irritation persists. |
| Eye Contact | Rinse immediately with plenty of water for at least 15 minutes. Remove contact lenses if present. Seek medical attention. |
| Ingestion | Rinse mouth with water. Do NOT induce vomiting. Seek immediate medical attention and show container or label. |
SECTION 12: FIREFIGHTING MEASURES
| Parameter | Information |
|---|---|
| Fire Hazard | Combustible liquid |
| Flash Point | 148°C (298°F) |
| Autoignition Temperature | 480°C (896°F) |
| Hazards During Fire | Releases CO, CO2, irritating fumes |
| Suitable Extinguishing Media | Dry powder, CO2, water mist (fog), alcohol-resistant foam |
| Special Protective Equipment | Self-contained breathing apparatus (SCBA), full protective clothing |
SECTION 13: STORAGE AND SHELF LIFE
| Parameter | Information |
|---|---|
| Storage Conditions | Cool (2-8°C recommended), dark, dry, well-ventilated area |
| Container Requirements | Tightly closed, light-resistant containers |
| Keep Away From | Light (light-sensitive), strong oxidizing agents, strong acids, strong bases |
| Freezing Note | Solidifies below 17°C; if frozen, place container in drying room (35-70°C) or warm water bath (40-90°C) to melt before use |
| Shelf Life | 24 months (unopened original packaging under appropriate storage conditions) |
| Stability Note | Light-sensitive; combustible; store in dark, cool environment |
SECTION 14: PACKAGING OPTIONS
| Packaging Type | Quantity | Material |
|---|---|---|
| HDPE drum | 25 kg | HDPE (light-protected) |
| HDPE drum | 50 kg | HDPE (light-protected) |
| HDPE drum | 200 kg | HDPE (light-protected) |
| IBC Container | 1000 kg | HDPE |
| Glass bottle (laboratory) | 1-5 kg | Amber glass |
SECTION 15: TRANSPORTATION INFORMATION
| Parameter | Information |
|---|---|
| UN Number | UN 3082 (Environmentally Hazardous Substance, Liquid, n.o.s.) |
| Hazard Class | 9 (Environmentally Hazardous Substances) |
| Packing Group | III |
| ADR/RID | UN 3082, Environmentally Hazardous Substance, 9, PG III |
| IMDG Code | UN 3082, Environmentally Hazardous Substance, 9, PG III |
| IATA (Air) | UN 3082, Environmentally Hazardous Substance, 9, PG III |
| Marine Pollutant | Yes |
| Transport Temperature | Ambient; protect from light and freezing |
SECTION 16: REGULATORY STATUS
| Region / Authority | Status |
|---|---|
| USA (FDA) | Approved as flavoring agent (21 CFR 172.515); moderate limit |
| FEMA | 2138 – approved for food flavor use |
| JECFA (FAO/WHO) | Evaluated; ADI 0-5 mg/kg |
| European Union | Approved as flavoring substance; cosmetic ingredient |
| Turkey | Approved under Turkish Food Codex Flavoring Regulation |
| Pharmaceutical | USP/EP monographs available for pharmaceutical grade |
SECTION 17: OTHER NAMES AND SYNONYMS
| Type | Name |
|---|---|
| Chemical Names | Benzyl Benzoate, Phenylmethyl Benzoate, Benzoic Acid Benzyl Ester, Benzoic Acid Phenylmethyl Ester |
| Other Chemical Names | Benzyl Phenylformate, Benzyl Alcohol Benzoic Ester, Benzyl Benzene Carboxylate |
| Trade Names | Ascabin, Benylate, Ascabiol, Scabagen, Vanzoate, Venzonate |
| CAS Number | 120-51-4 |
| EC Number | 204-402-9 |
| FEMA Number | 2138 |
SECTION 18: SUMMARY TABLE
| Parameter | Value |
|---|---|
| Product | Benzyl Benzoate |
| CAS Number | 120-51-4 |
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.24 g/mol |
| Appearance | Clear colorless transparent oily liquid |
| Boiling Point | 323 – 324°C |
| Freezing Point | 17 – 21°C |
| Density (20°C) | 1.118 g/mL |
| Odor | Weak balsamic, almond-like |
| Primary Function | Fragrance fixative, solvent for solid aromatics, scabicide, flavoring agent |
| Shelf Life | 24 months |
| GHS Signal Word | Warning |
| UN Number | UN 3082 (Environmentally Hazardous, 9, PG III) |
SECTION 19: CRITICAL WARNINGS AND BEST PRACTICES
CRITICAL WARNINGS:
Freezing Point: Solidifies below 17°C; must be completely melted before use. Place container in warm water bath (40-90°C) or drying room (35-70°C) to melt.
Light Sensitivity: Sensitive to light; store in dark, light-resistant containers.
Aquatic Toxicity: Toxic to aquatic organisms with long lasting effects; do not release to the environment.
Harmful if Swallowed: May cause gastrointestinal irritation; do not induce vomiting.
Combustible: Keep away from heat, sparks, and open flames.
BEST PRACTICE RECOMMENDATIONS:
Melting Procedure: In winter, place solidified benzyl benzoate container in warm water bath (40-90°C) or drying room (35-70°C) until completely liquefied before use.
Solid Fragrance Solvent: Use as solvent for solid fragrances: 1 kg benzyl benzoate dissolves 0.45 kg musk ambrette, 0.205 kg musk ketone, or 0.28 kg musk xylene.
Fragrance Fixative: Use at 1-30% in fragrance compositions to extend longevity of volatile notes.
Storage: Store at 2-8°C in dark, well-ventilated area; protect from light.
Handling: Use protective gloves and goggles; avoid eye contact (S25).
LEGAL DISCLAIMER:
The information provided in this document is presented in good faith based on our current knowledge and experience; however, since all usage conditions are beyond our control, it does not constitute a binding specification or warranty. This Technical Data Sheet is for informational purposes only. Users are obligated to test the suitability for their own applications. For complete safety, storage, handling, transportation, disposal, and regulatory compliance information, refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier.