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Send EmailPropyl Paraben, Propylparaben, Propyl Hydroxy Benzoate, E216, 94-13-3
PROPYL PARABEN - PROPİL PARABEN
Propyl 4-Hydroxybenzoate - E216 - Nipasol M
CAS: 94-13-3
| Product Name | Propyl Paraben (Propyl 4-Hydroxybenzoate) |
| CAS Number | 94-13-3 |
| EC Number | 202-307-7 |
| E Number | E216 |
| Chemical Class | Paraben Ester |
| Synonyms | Propylparaben, Propyl Paraben, Propyl 4-Hydroxybenzoate, Propyl p-Hydroxybenzoate, Nipasol, Nipasol M, Solbrol P, Tegosept P, E216 |
ITEM 1: PRODUCT IDENTITY AND NOMENCLATURE
| Parameter | Description |
|---|---|
| IUPAC Name | Propyl 4-hydroxybenzoate |
| Chemical Formula | C₁₀H₁₂O₃ |
| Molecular Weight | 180.20 g/mol |
| CAS Number | 94-13-3 |
| EC Number | 202-307-7 |
| E Number | E216 (food additive) |
| Synonyms | Propylparaben, Propyl Paraben, Propyl 4-Hydroxybenzoate, Propyl p-Hydroxybenzoate, Nipasol, Nipasol M, Solbrol P, Tegosept P, E216 |
| HS Code | 2918.29.00.00.00 |
| REACH Status | Registered and compliant |
Description: Propyl Paraben is a member of the paraben family of preservatives. It is the propyl ester of 4-hydroxybenzoic acid (para-hydroxybenzoic acid). It is a white crystalline powder with a slight characteristic odor. It is widely used as a preservative in cosmetics, pharmaceuticals, and food products due to its broad-spectrum antimicrobial and antifungal activity. As a food additive, it is designated as E216. Among parabens, it has stronger antimicrobial activity than methyl and ethyl parabens due to its longer propyl chain, but has lower water solubility.
ITEM 2: CHEMICAL STRUCTURE AND MOLECULAR PROPERTIES
| Parameter | Description |
|---|---|
| Chemical Family | Paraben Ester |
| Structure | Ester of 4-hydroxybenzoic acid and propanol |
| Functional Groups | Ester (-COO-), Hydroxyl (-OH), Aromatic ring |
| Molecular Structure | HO-C₆H₄-COO-CH₂-CH₂-CH₃ |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| pKa | 8.5 |
| LogP | 2.94 |
Structural Formula:
O
||
C - O - CH₂ - CH₂ - CH₃
/ \
/ \
\ /
\ /
C - OH
|
(Aromatic Ring)
Description: Propyl Paraben is formed by the esterification of 4-hydroxybenzoic acid with propanol. The molecule contains an ester group (-COO-), a hydroxyl group (-OH), and an aromatic ring. It has a three-carbon propyl chain, providing higher lipophilicity (LogP 2.94) compared to methyl and ethyl parabens, resulting in stronger antimicrobial activity but lower water solubility.
ITEM 3: PHYSICAL APPEARANCE AND FORM
| Parameter | Specification | Test Method |
|---|---|---|
| Appearance | White crystalline powder | Visual Inspection |
| Physical Form | Solid (crystalline) | Visual Inspection |
| Color | White to off-white | Visual Inspection |
| Odor | Slight characteristic | Organoleptic |
| Crystal Shape | Needle-like or prismatic | Microscopic |
Description: Propyl Paraben is a white to off-white crystalline powder with a slight characteristic odor. It is supplied as a free-flowing powder with high purity.
ITEM 4: PHYSICAL PROPERTIES
| Property | Specification | Typical Value | Test Method |
|---|---|---|---|
| Melting Point | 96 – 99 °C | 97 – 98 °C | DSC |
| Boiling Point | 280 – 290 °C (decomposes) | – | – |
| Density | 1.28 g/cm³ | – | – |
| Flash Point | > 150 °C | – | ASTM D93 |
| pKa | 8.5 | – | – |
| Water Solubility (25°C) | ~0.5 g/L | – | – |
Description: Propyl Paraben has a melting point of 96-99°C. Its water solubility is approximately 0.5 g/L, lower than methyl and ethyl parabens. Its density is 1.28 g/cm³.
ITEM 5: SOLUBILITY AND MISCIBILITY
| Solvent / Medium | Solubility / Miscibility |
|---|---|
| Water | Low (~0.5 g/L, 25°C) |
| Ethanol | Readily soluble |
| Acetone | Readily soluble |
| Ether | Readily soluble |
| Propylene Glycol | Partially soluble |
| Glycerin | Very slightly soluble |
| Oils | Good (hot) |
Description: Propyl Paraben has low water solubility (~0.5 g/L) but is readily soluble in ethanol, acetone, and ether. It is partially soluble in propylene glycol and very slightly soluble in glycerin. Its oil solubility is good when heated.
ITEM 6: PURITY AND ANALYTICAL SPECIFICATIONS
| Parameter | Specification | Typical Value | Test Method |
|---|---|---|---|
| Purity (HPLC) | ≥ 99.0% | 99.5% | HPLC |
| Melting Point | 96 – 99 °C | 97 – 98 °C | DSC |
| Loss on Drying | ≤ 0.5% | 0.1% | USP <731> |
| Ash Content | ≤ 0.1% | 0.02% | USP <281> |
| Acidity | ≤ 0.1 mL NaOH (0.1M) | – | Titration |
| Chloride | ≤ 0.035% | – | USP <221> |
| Sulfate | ≤ 0.024% | – | USP <221> |
| Heavy Metals (Pb) | ≤ 20 ppm | <5 ppm | USP <231> |
| Arsenic | ≤ 2 ppm | <1 ppm | USP <211> |
| Related Substances | Single: ≤ 0.4%; Total: ≤ 0.8% | – | HPLC |
Description: Propyl Paraben is supplied in high purity (≥99.0%) meeting pharmacopoeia (USP/EP) standards. Low loss on drying and ash content indicate high quality. Heavy metal and arsenic content are within strict limits for safety.
ITEM 7: ANTIMICROBIAL ACTIVITY
| Microorganism | Activity | Minimum Inhibitory Concentration (MIC) |
|---|---|---|
| Gram-Positive Bacteria | Strong | – |
| Staphylococcus aureus | Strong | 100 – 250 ppm |
| Gram-Negative Bacteria | Moderate | – |
| Pseudomonas aeruginosa | Moderate | > 400 ppm |
| Escherichia coli | Moderate | 200 – 400 ppm |
| Yeasts | Strong | – |
| Candida albicans | Strong | 80 – 150 ppm |
| Molds | Strong | – |
| Aspergillus niger | Strong | 80 – 150 ppm |
Activity Spectrum: Propyl Paraben exhibits strong antimicrobial activity, particularly against molds and yeasts. Due to its longer propyl chain, it is more lipophilic and has stronger antimicrobial activity compared to methyl and ethyl parabens. However, its water solubility is lower, so it is often used in combination with methyl paraben to achieve both good solubility and strong antimicrobial activity.
ITEM 8: COSMETIC APPLICATIONS
| Application Category | Function / Benefit |
|---|---|
| Shampoos | Preservative, antimicrobial protection |
| Conditioners | Preservative, antimicrobial protection |
| Creams | Preservative, antimicrobial protection |
| Lotions | Preservative, antimicrobial protection |
| Moisturizers | Preservative, antimicrobial protection |
| Makeup | Preservative, antimicrobial protection |
| Sunscreens | Preservative, antimicrobial protection |
| Deodorants | Preservative, antimicrobial protection |
| Toothpastes | Preservative |
| Baby Care Products | Preservative |
| Wet Wipes | Preservative |
Usage Levels and Regulatory Status:
| Region | Maximum Concentration | Notes |
|---|---|---|
| European Union | Single: 0.14%; Mixed: 0.8% | EU Cosmetics Regulation |
| Turkey | Single: 0.14%; Mixed: 0.8% | Aligned with EU regulation |
| USA (FDA) | Single: 0.1-0.3%; Mixed: 0.8% | FDA regulations |
Description: Propyl Paraben is widely used as a preservative in cosmetic products, particularly effective against molds and yeasts. Due to its stronger antimicrobial activity but lower water solubility compared to methyl paraben, it is typically used in combination with methyl paraben. The maximum concentration is 0.14% (single use) and 0.8% (mixed parabens) in the EU and Turkey.
ITEM 9: FOOD APPLICATIONS (E216)
| Application | Function / Description |
|---|---|
| Food Additive (E216) | Preservative for various food products |
| Sauces | Preservative, prevents mold and yeast growth |
| Baked Goods | Preservative, extends shelf life |
| Beverages | Preservative, prevents spoilage |
| Processed Foods | Preservative, microbial stability |
| Dairy Products | Preservative (limited use) |
| Condiments | Preservative, extends shelf life |
Description: As a food additive, Propyl Paraben is designated as E216. It is used as a preservative in sauces, baked goods, beverages, processed foods, dairy products, and condiments. It is particularly effective against mold and yeast growth. Its use is permitted only at specific concentrations and in specific products.
ITEM 10: PHARMACEUTICAL APPLICATIONS
| Application | Function / Description |
|---|---|
| Topical Creams | Preservative, antimicrobial protection |
| Ointments | Preservative, antimicrobial protection |
| Oral Liquids | Preservative, antimicrobial protection |
| Suppositories | Preservative |
| Tablet Coatings | Preservative, excipient |
| Reference Standards | USP/EP reference standard |
Description: In pharmaceutical applications, Propyl Paraben is used as a preservative in topical creams, ointments, oral liquids, suppositories, and tablet coatings. It is recognized in pharmacopoeia standards (USP/EP) and used as a reference standard in analytical testing.
ITEM 11: PARABEN TYPES COMPARISON
| Property | Methyl Paraben | Ethyl Paraben | Propyl Paraben | Butyl Paraben |
|---|---|---|---|---|
| Alkyl Chain | Methyl (C1) | Ethyl (C2) | Propyl (C3) | Butyl (C4) |
| Melting Point | 125-128°C | 115-118°C | 96-99°C | 68-71°C |
| Water Solubility | Good (2.5 g/L) | Limited (1.5 g/L) | Low (0.5 g/L) | Very low |
| Oil Solubility | Low | Moderate | Good | Very good |
| Antimicrobial Activity | Broad-spectrum | Broad-spectrum | Strong | Strongest |
| EU Max. Concentration | 0.4% (single) | 0.4% (single) | 0.14% (single) | 0.14% (single) |
| E Number | E218 | E214 | E216 | – |
| Estrogenic Activity | Weak | Weak | Moderate | Moderate-Strong |
Description: Propyl Paraben has a three-carbon propyl chain, providing stronger antimicrobial activity but lower water solubility compared to methyl and ethyl parabens. Its estrogenic activity is considered moderate, stronger than methyl and ethyl parabens but weaker than butyl paraben.
ITEM 12: METHYL PARABEN VS PROPYL PARABEN COMPARISON
| Feature | Methyl Paraben | Propyl Paraben |
|---|---|---|
| Alkyl Chain | Methyl (C1) | Propyl (C3) |
| Water Solubility | Good (~2.5 g/L) | Low (~0.5 g/L) |
| Oil Solubility | Low | Good |
| Antimicrobial Activity | Broad-spectrum | Strong (better against molds) |
| Toxicity | Lower toxicity | Higher toxicity |
| E Number | E218 | E216 |
| EU Max. Concentration | 0.4% (single) | 0.14% (single) |
| Estrogenic Activity | Weak | Moderate |
| Common Use | Aqueous formulations | Oil-based formulations |
| Combination Use | Often used with propyl paraben | Often used with methyl paraben |
Description: The key difference between methyl paraben and propyl paraben is that methyl paraben has lower toxicity compared to propyl paraben. Methyl paraben is more water-soluble and is preferred in aqueous formulations, while propyl paraben has stronger antimicrobial activity (especially against molds) and is preferred in oil-based formulations. They are often used together to achieve both good solubility and broad-spectrum antimicrobial activity.
ITEM 13: REGULATORY STATUS
| Region / Authority | Status |
|---|---|
| European Union | Permitted (single: 0.14%; mixed: 0.8%) |
| Turkey | Permitted (single: 0.14%; mixed: 0.8%) |
| USA (FDA) | Permitted (single: 0.1-0.3%; mixed: 0.8%) |
| Japan | Permitted (subject to regulations) |
| JECFA (FAO/WHO) | ADI approved |
| REACH (EU) | Registered |
| TSCA (USA) | Listed |
| EINECS (EU) | 202-307-7 |
| E Number | E216 (food additive) |
| USP/EP | Recognized as pharmacopoeia standard |
ITEM 14: SAFETY AND TOXICOLOGICAL PROFILE
| Parameter | Description |
|---|---|
| Acute Oral Toxicity (LD50) | ~ 3,000 – 4,000 mg/kg (rat) |
| Acute Dermal Toxicity | Low |
| Skin Irritation | Non-irritating (at typical use levels) |
| Eye Irritation | Mild irritant |
| Skin Sensitization | Potential sensitizer |
| Carcinogenicity | Not classified |
| Mutagenicity | Not classified |
| Endocrine Disruption | Potential concern (moderate estrogenic activity) |
| Allergen Potential | May cause allergic reactions |
| Estrogenic Activity | Moderate (stronger than methyl/ethyl) |
Description: Propyl Paraben has moderate acute toxicity (LD50 ~3,000-4,000 mg/kg). At typical use levels, it is non-irritating to the skin. As a member of the paraben family, it has been studied for potential endocrine-disrupting effects. Its estrogenic activity is considered moderate, stronger than methyl and ethyl parabens but weaker than butyl paraben. Allergic reactions are possible in sensitive individuals.
ITEM 15: STORAGE AND SHELF LIFE
| Parameter | Description |
|---|---|
| Storage Temperature | 15 – 30°C |
| Storage Conditions | Cool, dry, well-ventilated area |
| Light | Protect from direct sunlight |
| Moisture | Keep away from moisture; store in tightly closed containers |
| Materials to Avoid | Strong oxidizers, strong acids, strong bases |
| Shelf Life | 24 – 36 months (unopened, recommended conditions) |
| Signs of Degradation | Discoloration, caking |
ITEM 16: PACKAGING INFORMATION
| Parameter | Description |
|---|---|
| Standard Packaging | 25 kg multi-layer bags with PE liner |
| Bulk Packaging | 500 – 1000 kg big-bags |
| Small Packaging | 1 kg, 5 kg, 10 kg (available upon request) |
| Packaging Materials | PE-lined bags, HDPE containers, fiber drums |
QUALITY AND CERTIFICATION SUMMARY
| Certificate / Standard | Status |
|---|---|
| ISO 9001:2015 | Certified manufacturing sites |
| REACH (EC 1907/2006) | Registered and compliant |
| FDA 21 CFR | Permitted for use |
| USP/EP | Pharmaceutical grade available |
| Halal | Available upon request |
| Kosher | Available upon request |
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.
