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Send EmailOctisalate, 2-Ethylhexyl Salicylate, OS, 118-60-5
OCTISALATE (OS)
2-Ethylhexyl Salicylate - Salicylic Acid Octyl Ester
CAS: 118-60-5
| Product Name | Octisalate (2-Ethylhexyl Salicylate) |
| CAS Number | 118-60-5 |
| EC Number | 204-263-4 |
| Chemical Class | Salicylate Ester (UV Filter) |
| Synonyms | Octisalate, OS, 2-Ethylhexyl Salicylate, Salicylic Acid Octyl Ester, Octyl Salicylate, 2-Ethylhexyl 2-Hydroxybenzoate, Salicylic Acid 2-Ethylhexyl Ester |
ITEM 1: PRODUCT IDENTITY AND NOMENCLATURE
| Parameter | Description |
|---|---|
| IUPAC Name | 2-Ethylhexyl 2-hydroxybenzoate |
| Chemical Formula | C₁₅H₂₂O₃ |
| Molecular Weight | 250.33 g/mol |
| CAS Number | 118-60-5 |
| EC Number | 204-263-4 |
| Synonyms | Octisalate, OS, 2-Ethylhexyl Salicylate, Salicylic Acid Octyl Ester, Octyl Salicylate, 2-Ethylhexyl 2-Hydroxybenzoate, Salicylic Acid 2-Ethylhexyl Ester, Octisalate USP |
| HS Code | 2918.23.00.00.00 |
| REACH Status | Registered and compliant |
Description: Octisalate (2-Ethylhexyl Salicylate) is a salicylic acid ester used as an organic UV filter (UVB absorber) in sunscreens and cosmetic products. It is a colorless to light yellow transparent liquid with a slight aromatic odor. Octisalate is widely used in sunscreen formulations, cosmetics, perfumes, soaps, and pharmaceutical industries. It provides effective UVB absorption (290-320 nm) and can also act as a solubilizer for other UV filters. It is also used as an organic solvent and intermediate in organic synthesis.
ITEM 2: CHEMICAL STRUCTURE AND MOLECULAR PROPERTIES
| Parameter | Description |
|---|---|
| Chemical Family | Salicylate Ester |
| Structure | Ester of salicylic acid and 2-ethylhexanol |
| Functional Groups | Ester (-COO-), Hydroxyl (-OH), Aromatic ring |
| Molecular Structure | 2-hydroxybenzoic acid esterified with 2-ethylhexanol |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1O |
| InChI Key | HQVAFRLOQDDYQI-UHFFFAOYSA-N |
| LogP | 5.94 (at 25°C) |
| pKa | 8.13 ± 0.30 (predicted) |
| UV Absorption | UVB (290-320 nm) |
Structural Formula:
text
O
||
C - O - CH₂ - CH - CH₂ - CH₂ - CH₂ - CH₃
/ \ |
/ \ CH₂ - CH₃
\ /
\ /
C - OH
|
(Aromatic Ring)
Description: Octisalate is the ester formed by the reaction of salicylic acid with 2-ethylhexanol. It contains an aromatic ring, a hydroxyl group (-OH), and an ester group (-COO-). The hydrophobic 2-ethylhexyl chain provides excellent solubility in oils and organic solvents. The hydroxyl group on the aromatic ring is responsible for its UV absorption properties. The octisalate molecule absorbs UVB radiation (290-320 nm) through the conjugated aromatic system.
ITEM 3: PHYSICAL APPEARANCE AND FORM
| Parameter | Specification | Test Method |
|---|---|---|
| Appearance | Colorless to light yellow liquid | Visual Inspection |
| Physical Form | Liquid (oily) | Visual Inspection |
| Color | Colorless to pale yellow | Visual Inspection |
| Odor | Slight aromatic odor | Organoleptic |
| Clarity | Clear, free from sediment | Visual Inspection |
| Density (25°C) | 1.014 g/mL | ASTM D4052 |
Description: Octisalate is a colorless to light yellow, clear, transparent liquid with a slight aromatic odor. It is supplied as a free-flowing liquid with high purity. The product contains no visible sediment or turbidity. Its color may vary slightly depending on purity and storage conditions.
ITEM 4: PHYSICAL PROPERTIES
| Property | Specification | Typical Value | Test Method |
|---|---|---|---|
| Density (25°C) | 1.010 – 1.020 g/mL | 1.014 g/mL | ASTM D4052 |
| Refractive Index (20°C) | 1.499 – 1.505 | 1.502 | ASTM D1218 |
| Viscosity | ~20 cP | – | – |
| Boiling Point | 189 – 190 °C (21 mmHg) | 190 °C | – |
| Boiling Point (760 mmHg) | ~330 °C (decomposes) | – | – |
| Flash Point | > 230 °F (> 110 °C) | > 110 °C | ASTM D93 |
| Melting Point | < -10 °C | – | DSC |
| Water Solubility | 74.4 µg/L (at 20°C) | – | – |
| Vapor Pressure | 0.018 Pa (at 20°C) | – | – |
| LogP | 5.94 (at 25°C) | – | – |
| pKa | 8.13 ± 0.30 | – | – |
| UV Absorption Max (λmax) | 290 – 320 nm (UVB) | ~305 nm | UV-Vis |
Description: Octisalate has a density of approximately 1.014 g/mL at 25°C and a refractive index of 1.502. Its boiling point is 189-190°C at reduced pressure (21 mmHg), and it decomposes at higher temperatures under atmospheric pressure. The flash point is above 110°C, indicating low flammability. Its water solubility is extremely low (74.4 µg/L), reflecting its high hydrophobicity. The high LogP (5.94) indicates high lipophilicity and good oil solubility. It absorbs UVB radiation with a maximum absorption around 305 nm.
ITEM 5: THERMAL PROPERTIES
| Property | Specification / Value | Test Method |
|---|---|---|
| Melting Point | < -10 °C | DSC |
| Boiling Point | 189 – 190 °C (21 mmHg) | – |
| Boiling Point (760 mmHg) | ~330 °C (decomposes) | – |
| Flash Point | > 230 °F (> 110 °C) | ASTM D93 |
| Auto-ignition Temperature | ~350 °C | – |
| Vapor Pressure (20°C) | 0.018 Pa | – |
| Thermal Stability | Good stability up to 200°C | – |
Description: Octisalate has a low melting point (< -10°C) and remains liquid over a wide temperature range. Its boiling point at reduced pressure is 189-190°C, and it decomposes at higher temperatures under atmospheric pressure. The flash point is above 110°C, indicating low flammability. It has good thermal stability up to 200°C, which is suitable for most cosmetic processing conditions.
ITEM 6: SOLUBILITY AND MISCIBILITY
| Solvent / Medium | Solubility / Miscibility |
|---|---|
| Water | Very slightly soluble (74.4 µg/L at 20°C) |
| Ethanol | Completely miscible |
| Isopropanol | Completely miscible |
| Propylene Glycol | Partially soluble |
| Glycerin | Practically insoluble |
| Oils (Vegetable/Mineral) | Completely miscible |
| Silicone Oils | Completely miscible |
| Acetone | Completely miscible |
| Ethyl Acetate | Completely miscible |
| Chloroform | Completely miscible |
| Aromatic Solvents | Completely miscible |
Description: Octisalate is practically insoluble in water (74.4 µg/L) but completely miscible with most organic solvents including ethanol, isopropanol, acetone, ethyl acetate, chloroform, oils, and silicone oils. It shows limited solubility in propylene glycol and is practically insoluble in glycerin. Its high oil solubility makes it an excellent oil-soluble UV filter for sunscreen formulations.
ITEM 7: PURITY AND ANALYTICAL SPECIFICATIONS
| Parameter | Specification | Typical Value | Test Method |
|---|---|---|---|
| Purity (GC) | ≥ 98.0% | 99.0% | GC |
| Purity (USP Grade) | ≥ 99.0% | 99.5% | GC |
| Acid Value (mg KOH/g) | ≤ 0.50 | 0.20 | Titration |
| Water Content (Karl Fischer) | ≤ 0.20% | 0.05% | Karl Fischer |
| Color (APHA) | ≤ 50 | 20 | ASTM D1209 |
| Density (25°C) | 1.010 – 1.020 g/mL | 1.014 | ASTM D4052 |
| Refractive Index (20°C) | 1.499 – 1.505 | 1.502 | ASTM D1218 |
| Heavy Metals (Pb) | ≤ 10 ppm | <5 ppm | ICP-MS |
| Arsenic (As) | ≤ 2 ppm | <1 ppm | ICP-MS |
| Salicylic Acid | ≤ 0.10% | 0.02% | HPLC |
| 2-Ethylhexanol | ≤ 0.10% | 0.02% | GC |
| UV Absorbance (305 nm) | Meets USP spec | Passes | UV-Vis |
| Appearance | Clear liquid | Passes | Visual |
Description: Octisalate is supplied in high purity (≥98.0%). USP grade products meet stricter purity specifications (≥99.0%). Low acid value and water content indicate high quality and ester stability. Low levels of free salicylic acid and 2-ethylhexanol indicate good ester purity and minimal hydrolysis. UV absorbance testing ensures batch-to-batch consistency for sunscreen applications.
ITEM 8: SUNSCREEN AND UV PROTECTION APPLICATIONS
| Application | Function / Description |
|---|---|
| Sunscreens | UVB absorber (290-320 nm) |
| Daily Moisturizers with SPF | UVB protection, moisturizer additive |
| BB Creams | UVB protection, oil-soluble UV filter |
| CC Creams | UVB protection, oil-soluble UV filter |
| Foundation with SPF | UVB protection, oil-soluble UV filter |
| Lip Balms | UVB protection |
| After-Sun Products | UVB protection |
| Self-Tanning Products | UVB protection |
| Color Cosmetics | UVB protection |
| Outdoor Products | UVB protection for skin |
| Antioxidant Formulations | UVB protection in combination with antioxidants |
Mechanism of Action:
| Parameter | Description |
|---|---|
| UV Absorption Range | 290 – 320 nm (UVB) |
| Peak Absorption | ~305 nm |
| Mechanism | Absorbs UVB radiation through conjugated aromatic system |
| Protection Type | Chemical UV filter (organic) |
| Solubility | Oil-soluble |
| Synergy | Boosts SPF and UVB protection when combined with other UV filters |
| Photostability | Good photostability |
| Skin Penetration | Minimal penetration when formulated properly |
Usage Levels:
| Application | Typical Concentration |
|---|---|
| Sunscreens | 3 – 10% |
| Daily Moisturizers with SPF | 2 – 5% |
| BB/CC Creams | 2 – 5% |
| Foundations with SPF | 2 – 5% |
| Lip Balms | 1 – 3% |
Description: Octisalate is an organic chemical UV filter used primarily to absorb UVB radiation (290-320 nm) with maximum absorption around 305 nm. It is a key ingredient in sunscreens and daily SPF products. It is often used in combination with other UV filters (both UVA and UVB absorbers) to achieve broad-spectrum protection. Its oil solubility makes it easy to formulate into oil-based and emulsion systems. It is recognized for its good photostability and minimal skin penetration when properly formulated.
ITEM 9: SYNERGY WITH OTHER UV FILTERS
| UV Filter | Compatibility | Synergy |
|---|---|---|
| Avobenzone | Good | Boosts UVB protection |
| Octocrylene | Excellent | Boosts UVB protection |
| Homosalate | Excellent | Boosts UVB protection |
| Oxybenzone | Excellent | Boosts UVB/UVA protection |
| Octinoxate | Excellent | Boosts UVB protection |
| Zinc Oxide | Good | Broad-spectrum synergy |
| Titanium Dioxide | Good | Broad-spectrum synergy |
| Ensulizole | Good | Water-soluble UVB filter synergy |
| Benzophenone-3 | Excellent | Boosts UVB/UVA protection |
Description: Octisalate works well in combination with other UV filters to achieve broad-spectrum protection. It is particularly effective when combined with UVA filters like avobenzone or physical filters like zinc oxide and titanium dioxide. Its oil solubility and good photostability make it a versatile component in sunscreen formulations.
ITEM 10: COSMETIC AND PERSONAL CARE APPLICATIONS
| Application | Function / Description |
|---|---|
| Sunscreen Lotions | UVB absorber |
| Sunscreen Sprays | UVB absorber |
| Daily Moisturizers | UVB protection, SPF contribution |
| Foundation | UVB protection, SPF contribution |
| BB/CC Creams | UVB protection, SPF contribution |
| Lip Balms | UVB protection |
| Eye Creams | UVB protection |
| Self-Tanning Products | UVB protection |
| Body Lotions | UVB protection |
| After-Shave Lotions | UVB protection |
| Perfumes | Fragrance fixative, solvent (minor use) |
| Soaps | Fragrance fixative, additive (minor use) |
Description: In cosmetics and personal care, Octisalate is primarily used as a UVB absorber in sunscreen products. It is also used in daily moisturizers, foundations, BB/CC creams, and other products with SPF claims. Its slight aromatic odor and oil solubility make it suitable for incorporation into oil-based and emulsion formulations.
ITEM 11: PHARMACEUTICAL APPLICATIONS
| Application | Function / Description |
|---|---|
| Sunscreen Formulations | UVB absorber (pharmaceutical grade) |
| Topical Creams | UVB protection |
| Pharmaceutical Ointments | UVB protection, additive |
| Transdermal Formulations | Solvent, penetration enhancer |
| Dermatological Preparations | UVB protection |
| APIs for Sunscreen | Active pharmaceutical ingredient for sunscreen |
| FDA Approved Sunscreen Actives | OTC monograph approved |
Description: In pharmaceutical applications, Octisalate is used as an active ingredient (API) in sunscreen and dermatological formulations. It is FDA approved (OTC monograph) as a safe and effective sunscreen active ingredient. Pharmaceutical-grade Octisalate meets stricter purity specifications for use in medicinal products.
ITEM 12: INDUSTRIAL AND OTHER APPLICATIONS
| Application | Function / Description |
|---|---|
| Organic Solvent | Solvent in organic synthesis |
| Intermediate | Intermediate in organic synthesis |
| Fragrance Industry | Fragrance fixative |
| Soap Industry | Additive, fragrance fixative |
| Photography | UV absorption (limited) |
| Plastics | UV stabilizer (limited) |
Description: Octisalate is also used as an organic solvent and intermediate in organic synthesis. It is used in the fragrance industry as a fixative and in the soap industry as an additive. Its UV absorption properties make it useful in limited applications such as UV stabilization in plastics.
ITEM 13: SECTOR COMPATIBILITY MATRIX
| Industry | Suitability | Application | Notes |
|---|---|---|---|
| Cosmetics & Personal Care | Excellent | Sunscreens, moisturizers, foundations | Primary use |
| Pharmaceuticals | Excellent | Sunscreen APIs, topical creams | FDA approved OTC active |
| Fragrance | Good | Fragrance fixative | Limited use |
| Soap & Detergent | Good | Additive, fixative | Limited use |
| Chemical Synthesis | Good | Solvent, intermediate | Limited use |
| Plastics | Limited | UV stabilizer | Very limited |
ITEM 14: REGULATORY STATUS
| Region | Status |
|---|---|
| USA | FDA OTC Monograph - Sunscreen active ingredient (Category I - Generally Recognized as Safe and Effective) |
| European Union | Approved UV filter (Regulation (EC) No 1223/2009) |
| Japan | Approved UV filter |
| China | Approved UV filter |
| Australia | Approved UV filter |
| Canada | Approved UV filter |
| REACH (EU) | Registered |
| TSCA (USA) | Listed |
| EINECS (EU) | 204-263-4 |
Description: Octisalate is approved as a sunscreen active ingredient in all major global markets. In the USA, it is listed in the FDA OTC Monograph as a Category I sunscreen active ingredient, recognized as safe and effective. It is also approved in the European Union (Regulation (EC) No 1223/2009), Japan, China, Australia, and Canada.
ITEM 15: SAFETY AND TOXICOLOGICAL PROFILE
| Parameter | Description |
|---|---|
| Acute Oral Toxicity (LD50) | > 2000 mg/kg (low toxicity) |
| Acute Dermal Toxicity | Low |
| Skin Irritation | Non-irritating (at typical use levels) |
| Eye Irritation | Mild irritant |
| Skin Sensitization | Non-sensitizing |
| Carcinogenicity | Not classified |
| Mutagenicity | Not classified |
| Reproductive Toxicity | Not classified |
| Phototoxicity | Not phototoxic |
| Systemic Absorption | Minimal when formulated properly |
| Biodegradability | Readily biodegradable |
| Bioaccumulation Potential | Low |
| FDA Status | Category I - Sunscreen active ingredient |
Description: Octisalate has low toxicity and is considered safe for use in sunscreens and cosmetic products. It is non-irritating to the skin at typical use levels and is not a skin sensitizer. It is not classified as carcinogenic, mutagenic, or reproductive toxicant. Systemic absorption is minimal when formulated properly, making it safe for topical use. It is readily biodegradable and has low bioaccumulation potential.
ITEM 16: STABILITY AND STORAGE
| Parameter | Description |
|---|---|
| Storage Temperature | 15 – 30°C |
| Storage Conditions | Cool, dry, well-ventilated area |
| Light | Protect from direct sunlight |
| Materials to Avoid | Strong oxidizers, strong acids, strong bases |
| Packaging Materials | Stainless steel, HDPE, glass |
| Shelf Life | 24 months (unopened, recommended conditions) |
| Stability | Stable under normal conditions |
| Signs of Degradation | Color darkening, odor change, acidity increase |
| Photostability | Good photostability |
| Hydrolysis Stability | Slow hydrolysis in presence of water/acid |
Description: Octisalate should be stored in a cool, dry place in tightly closed containers, protected from direct sunlight. It is stable under normal storage conditions. Prolonged exposure to high temperatures, light, or moisture may cause degradation. Signs of degradation include color darkening, odor change, or acidity increase.
ITEM 17: HANDLING AND PERSONAL PROTECTIVE EQUIPMENT (PPE)
| Parameter | Recommendation |
|---|---|
| Ventilation | Good ventilation or local exhaust |
| Gloves | Nitrile or neoprene gloves |
| Eye Protection | Safety goggles |
| Skin Contact | Wash with soap and water |
| Eye Contact | Rinse with plenty of water for 15 minutes; seek medical attention |
| Inhalation | Avoid breathing vapors |
| Ingestion | Rinse mouth; seek medical attention |
Description: Standard industrial hygiene practices should be followed when handling Octisalate. Good ventilation should be provided and inhalation of vapors should be avoided.
ITEM 18: SPILL CLEANUP AND DISPOSAL
| Parameter | Description |
|---|---|
| Small Spills | Absorb with inert material (sand, vermiculite) |
| Large Spills | Dike, absorb with inert material, collect in suitable containers |
| Do Not | Discharge to sewers or water sources |
| Waste Disposal | Dispose according to local regulations |
| Environmental Classification | Not classified as hazardous waste |
| Biodegradability | Readily biodegradable |
ITEM 19: PACKAGING INFORMATION
| Parameter | Description |
|---|---|
| Standard Packaging | 200 kg steel drums |
| Bulk Packaging | 1000 kg IBC, ISO containers |
| Small Packaging | 25 L jerrycans, 1 L laboratory bottles |
| Packaging Materials | Steel, HDPE, glass |
| Labeling | Product code, batch number, net weight, safety warnings |
ITEM 20: SYNONYMS AND ALIASES
| Name | Description |
|---|---|
| Octisalate | Most common name (INCI) |
| OS | Abbreviation |
| 2-Ethylhexyl Salicylate | Chemical name |
| Salicylic Acid Octyl Ester | Chemical name |
| Octyl Salicylate | Common name |
| 2-Ethylhexyl 2-Hydroxybenzoate | Chemical name |
| Salicylic Acid 2-Ethylhexyl Ester | Chemical name |
| Isooctyl Salicylate | Historical name |
| Salicylic Acid 2-Ethyl-1-Hexyl Ester | Full chemical name |
| OCS | Abbreviation |
| Octisalate USP | USP grade product |
QUALITY AND CERTIFICATION SUMMARY
| Certificate / Standard | Status |
|---|---|
| ISO 9001:2015 | Certified manufacturing sites |
| REACH (EC 1907/2006) | Registered and compliant |
| FDA OTC Monograph | Category I - Sunscreen active ingredient |
| EU Cosmetics Regulation | Approved UV filter |
| USP | USP grade available |
| Halal | Available upon request |
| Kosher | Available upon request |
| Vegan | Suitable |
Disclaimer: This Technical Data Sheet provides typical values for reference purposes only. All values are based on standard laboratory measurements and do not constitute a binding specification. For binding properties, please request the Certificate of Analysis (COA) for each specific batch. The user is solely responsible for determining product suitability for their intended application and for compliance with all applicable regulations. Safety Data Sheet (SDS) must be requested from the supplier before use.
