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Send EmailOctocrylene, Ethylhexyl Cyano Diphenyl Acrylate, 6197-30-4
OCTOCRYLENE
2-Ethylhexyl 2-Cyano-3,3-diphenyl-acrylate
CAS: 6197-30-4
ITEM 1: PRODUCT IDENTITY AND NOMENCLATURE
| Parameter | Description |
|---|---|
| IUPAC Name | 2-Ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate |
| Chemical Formula | C₂₄H₂₇NO₂ |
| Molecular Weight | 361.48 g/mol |
| CAS Number | 6197-30-4 |
| EC Number | 228-250-8 |
| Synonyms | Octocrylene, PARSOL 340, N-539, EUSOLEX OCR, Uvinul 3039, Primesorb 3039, 2-Ethylhexyl 2-Cyano-3,3-diphenyl-acrylate, Octyl 2-Cyano-3,3-diphenylacrylate, 2-Ethylhexyl 2-cyano-3,3-diphenylpropenoate |
| HS Code | 2926.90.95.00.00 |
| REACH Status | Registered and compliant |
Description: Octocrylene is an organic UV filter widely used in sunscreens and cosmetic products. It is a cyanoacrylate derivative that absorbs UV-A and UV-B radiation (primarily UV-B). It is also used to enhance the photostability of other UV filters (particularly avobenzone). It is a colorless to light yellow, viscous liquid. It is also used as a UV absorber in plastics, coatings, and dyes.
ITEM 2: CHEMICAL STRUCTURE AND MOLECULAR PROPERTIES
| Parameter | Description |
|---|---|
| Chemical Family | Acrylate Ester (Cyanoacrylate) |
| Structure | 2-Ethylhexyl ester of cyanoacrylic acid |
| Functional Groups | Ester (-COO-), Nitrile (-C≡N), Double bond (C=C), Phenyl rings |
| Molecular Structure | 2-cyano-3,3-diphenylacrylic acid 2-ethylhexyl ester |
| SMILES | CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N |
| InChI Key | FMJSMJQBSVNSBF-UHFFFAOYSA-N |
| LogP | 6.1 (at 23°C) |
| UV Absorption | UV-A and UV-B (280-360 nm) |
| Maximum Absorption | ~303 nm |
Structural Formula:
text
O
||
C - O - CH₂ - CH - CH₂ - CH₂ - CH₂ - CH₃
| |
C=C CH₂ - CH₃
/ \
/ \
C≡N C₆H₅ - C₆H₅
Description: Octocrylene is the 2-ethylhexyl ester of cyanoacrylic acid. The molecule contains an ester group, a nitrile group (C≡N), a conjugated double bond (C=C), and two phenyl rings. This conjugated system is responsible for its ability to absorb UV radiation. The molecule also has oil solubility due to the 2-ethylhexyl chain.
ITEM 3: PHYSICAL APPEARANCE AND FORM
| Parameter | Specification | Test Method |
|---|---|---|
| Appearance | Colorless to light yellow liquid | Visual Inspection |
| Physical Form | Liquid (viscous) | Visual Inspection |
| Color | Colorless to light yellow | Visual Inspection |
| Odor | Slight characteristic | Organoleptic |
| Clarity | Clear, free from sediment | Visual Inspection |
Description: Octocrylene is a colorless to light yellow, clear, viscous liquid with a slight characteristic odor. It is supplied in high purity and contains no visible sediment or turbidity.
ITEM 4: PHYSICAL PROPERTIES
| Property | Specification | Typical Value | Test Method |
|---|---|---|---|
| Density (25°C) | 1.045 – 1.055 g/mL | 1.051 g/mL | ASTM D4052 |
| Refractive Index (20°C) | 1.565 – 1.570 | 1.567 | ASTM D1218 |
| Viscosity (25°C) | ~50 cP | – | – |
| Melting Point | -10 °C | -10 °C | DSC |
| Boiling Point | 218 °C (1.5 mmHg) | 218 °C | – |
| Boiling Point (760 mmHg) | ~350 °C (decomposes) | – | – |
| Flash Point | > 230 °F (> 110 °C) | > 110 °C | ASTM D93 |
| Water Solubility | Practically insoluble | – | – |
| Vapor Pressure | 0 Pa (at 25°C) | – | – |
| LogP | 6.1 (at 23°C) | – | – |
| UV Absorption Max (λmax) | ~303 nm | 303 nm | UV-Vis |
Description: Octocrylene has a density of approximately 1.051 g/mL at 25°C and a refractive index of 1.567. Its melting point is -10°C. The boiling point is 218°C at reduced pressure (1.5 mmHg). The flash point is above 110°C. The LogP value (6.1) indicates high lipophilicity. UV absorption maximum is approximately 303 nm.
ITEM 5: THERMAL PROPERTIES
| Property | Specification / Value | Test Method |
|---|---|---|
| Melting Point | -10 °C | DSC |
| Boiling Point | 218 °C (1.5 mmHg) | – |
| Boiling Point (760 mmHg) | ~350 °C (decomposes) | – |
| Flash Point | > 230 °F (> 110 °C) | ASTM D93 |
| Auto-ignition Temperature | ~350 °C | – |
| Vapor Pressure (25°C) | 0 Pa | – |
| Thermal Stability | Good stability up to 200°C | – |
Description: Octocrylene has a low melting point of -10°C and remains liquid over a wide temperature range. Its boiling point at reduced pressure is 218°C. The flash point is above 110°C. 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 | Practically insoluble |
| Ethanol | Soluble |
| Isopropanol | Soluble |
| Oils (Vegetable/Mineral) | Completely miscible |
| Silicone Oils | Completely miscible |
| Acetone | Soluble |
| Ethyl Acetate | Soluble |
| Chloroform | Slightly soluble |
| Methanol | Sparingly soluble |
| Propylene Glycol | Partially soluble |
| Glycerin | Practically insoluble |
Description: Octocrylene is practically insoluble in water but soluble in most organic solvents including ethanol, isopropanol, acetone, ethyl acetate, oils, and silicone oils. It is slightly soluble in chloroform and sparingly soluble in methanol. 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 (Cosmetic 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) | ≤ 100 | 50 | ASTM D1209 |
| Density (25°C) | 1.045 – 1.055 g/mL | 1.051 | ASTM D4052 |
| Refractive Index (20°C) | 1.565 – 1.570 | 1.567 | ASTM D1218 |
| Heavy Metals (Pb) | ≤ 10 ppm | <5 ppm | ICP-MS |
| Arsenic (As) | ≤ 2 ppm | <1 ppm | ICP-MS |
| UV Absorbance (303 nm) | Meets specification | Passes | UV-Vis |
| Appearance | Clear liquid | Passes | Visual |
Description: Octocrylene is supplied in high purity (≥98.0%). Cosmetic grade products meet stricter purity specifications (≥99.0%). Low acid value and water content indicate high quality and ester stability. UV absorbance testing ensures batch-to-batch consistency for sunscreen applications.
ITEM 8: SUNSCREEN AND UV PROTECTION APPLICATIONS
| Application | Function / Description |
|---|---|
| Sunscreens | UV-A and UV-B absorber (280-360 nm) |
| Daily Moisturizers with SPF | UV protection, photostability enhancer |
| BB/CC Creams | UV protection, oil-soluble UV filter |
| Foundations with SPF | UV protection, oil-soluble UV filter |
| Lip Balms | UV protection |
| After-Sun Products | UV protection |
| Self-Tanning Products | UV protection |
| Color Cosmetics | UV protection |
| Outdoor Products | UV protection for skin |
Mechanism of Action:
| Parameter | Description |
|---|---|
| UV Absorption Range | 280 – 360 nm (UV-B and UV-A) |
| Peak Absorption | ~303 nm |
| Mechanism | Absorbs UV radiation through conjugated system |
| Protection Type | Chemical UV filter (organic) |
| Solubility | Oil-soluble |
| Photostability | Excellent photostability |
| Synergy | Enhances photostability of other UV filters (especially Avobenzone) |
| Skin Penetration | Minimal when properly formulated |
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: Octocrylene is an organic chemical UV filter that absorbs UV-A and UV-B radiation with peak absorption around 303 nm. It is known for its excellent photostability and is particularly used to enhance the photostability of light-sensitive UV filters such as avobenzone. Its oil solubility makes it suitable for oil-based and emulsion systems.
ITEM 9: SYNERGY WITH OTHER UV FILTERS AND PHOTOSTABILITY
| UV Filter | Compatibility | Photostability Effect |
|---|---|---|
| Avobenzone | Excellent | Significantly enhances avobenzone photostability |
| Octisalate | Excellent | Boosts UVB protection |
| Homosalate | Excellent | Boosts UVB protection |
| Octinoxate | Excellent | Boosts UVB protection |
| Oxybenzone | Excellent | Boosts UVB/UVA protection |
| Zinc Oxide | Good | Broad-spectrum synergy |
| Titanium Dioxide | Good | Broad-spectrum synergy |
Description: Octocrylene shows excellent compatibility with other UV filters. Its most important property is enhancing the photostability of light-sensitive UV filters such as avobenzone. This synergistic effect is critical for providing broad-spectrum protection in sunscreen formulations and extending product shelf life.
ITEM 10: COSMETIC AND PERSONAL CARE APPLICATIONS
| Application | Function / Description |
|---|---|
| Sunscreen Lotions | UV-A/UV-B absorber, photostability enhancer |
| Sunscreen Sprays | UV-A/UV-B absorber, photostability enhancer |
| Daily Moisturizers | UV protection, photostability |
| Foundation | UV protection, photostability |
| BB/CC Creams | UV protection, photostability |
| Lip Balms | UV protection |
| Eye Creams | UV protection |
| Self-Tanning Products | UV protection |
| Body Lotions | UV protection |
| After-Shave Lotions | UV protection |
Description: In cosmetics and personal care, Octocrylene is primarily used as a UV-A/UV-B absorber in sunscreen products. It is also used in daily moisturizers, foundations, BB/CC creams, and other products with SPF claims. Its photostability enhancing properties make it particularly valuable in formulations containing avobenzone.
ITEM 11: AS A PHOTOSTABILITY ENHANCER
| Parameter | Description |
|---|---|
| Primary Function | UV-A and UV-B absorber |
| Secondary Function | Photostability enhancer |
| Target UV Filters | Particularly Avobenzone |
| Mechanism of Action | Reduces photo-isomerization and photodegradation of avobenzone |
| Formulation Benefit | Extends sunscreen product shelf life and efficacy |
| Combination Ratio | Used in 1:1 to 2:1 ratios with avobenzone |
Description: Octocrylene is widely used in sunscreen formulations to enhance the photostability of light-sensitive UV filters such as avobenzone. It reduces photo-isomerization and photodegradation of avobenzone, extending product shelf life and UV protection efficacy. This synergistic effect makes it a critical component in modern broad-spectrum sunscreens.
ITEM 12: INDUSTRIAL APPLICATIONS (UV ABSORBER)
| Application | Function / Description |
|---|---|
| Plastics | UV absorber, prevents photodegradation |
| Coatings | UV absorber, color and gloss protection |
| Paints | UV absorber, prevents color fading |
| Polymers | UV stabilizer |
| Inks | UV absorber, color protection |
| Automotive Coatings | UV protection, durability |
| Industrial Coatings | UV protection, color stability |
Description: In industrial applications, Octocrylene is used as a UV absorber and photostabilizer in plastics, coatings, paints, and inks. It prevents photodegradation, color fading, and material degradation caused by UV radiation. In automotive and industrial coatings, it enhances durability and color stability.
ITEM 13: SECTOR COMPATIBILITY MATRIX
| Industry | Suitability | Application | Notes |
|---|---|---|---|
| Cosmetics & Personal Care | Excellent | Sunscreens, moisturizers, foundations | Primary use |
| Plastics | Good | UV absorber, photostabilizer | Industrial use |
| Coatings | Good | UV absorber, color protection | Industrial use |
| Paints | Good | UV absorber, prevents color fading | Industrial use |
| Pharmaceuticals | Good | Sunscreen APIs, topical formulations | FDA approved |
| Automotive | Good | UV protection in coatings | Industrial use |
| Inks | Medium | UV absorber | Limited use |
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) | 228-250-8 |
Description: Octocrylene 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. 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) | > 5,000 mg/kg (rat) |
| 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 |
| FDA Status | Category I - Sunscreen active ingredient |
Description: Octocrylene 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. It is classified as Category I in the FDA OTC Monograph.
ITEM 16: STORAGE AND SHELF LIFE
| Parameter | Description |
|---|---|
| Storage Temperature | 15 – 25°C |
| Storage Conditions | Cool, dry, well-ventilated area |
| Light | Protect from direct sunlight |
| Materials to Avoid | Strong oxidizers, acids, 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 | Excellent photostability |
Description: Octocrylene 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 or light 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 |
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 | Harmful to aquatic organisms |
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 |
|---|---|
| Octocrylene | Most common name |
| PARSOL 340 | Trade name |
| N-539 | Trade name |
| EUSOLEX OCR | Trade name |
| Uvinul 3039 | Trade name |
| Primesorb 3039 | Trade name |
| 2-Ethylhexyl 2-Cyano-3,3-diphenyl-acrylate | Chemical name |
| Octyl 2-Cyano-3,3-diphenylacrylate | Chemical name |
| 2-Ethylhexyl 2-cyano-3,3-diphenylpropenoate | Chemical name |
| 2-Cyano-3,3-diphenylacrylic acid 2-ethylhexyl ester | Chemical name |
| OCR | Abbreviation |
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 |
| 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.
