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Send EmailButyl Paraben, Butylparaben, Butil 4-Hidroksibenzoat, Butyl Hydroxybenzoate, 94-26-8
BUTYL PARABEN - BUTİL PARABEN
Butyl 4-Hydroxybenzoate - Butyl Hydroxybenzoate
CAS: 94-26-8
| Product Name | Butyl Paraben (Butyl 4-Hydroxybenzoate) |
| CAS Number | 94-26-8 |
| EC Number | 202-318-7 |
| Chemical Class | Paraben Ester |
| Synonyms | Butylparaben, Butyl Paraben, Butyl Hydroxybenzoate, Butyl 4-Hydroxybenzoate, Butyl p-Hydroxybenzoate, Nipabutyl, Tegosept B, Butoben, Solbrol B, SPF, Butyl Parasept |
ITEM 1: PRODUCT IDENTITY AND NOMENCLATURE
| Parameter | Description |
|---|---|
| IUPAC Name | Butyl 4-hydroxybenzoate |
| Chemical Formula | C₁₁H₁₄O₃ |
| Molecular Weight | 194.23 g/mol |
| CAS Number | 94-26-8 |
| EC Number | 202-318-7 |
| Synonyms | Butylparaben, Butyl Paraben, Butyl Hydroxybenzoate, Butyl 4-Hydroxybenzoate, Butyl p-Hydroxybenzoate, Nipabutyl, Tegosept B, Butoben, Solbrol B, SPF, Butyl Parasept, Butyl Chemosept, Preserval B |
| HS Code | 2918.29.00.00.00 |
| REACH Status | Registered and compliant |
Description: Butyl Paraben is a member of the paraben family of preservatives. It is the butyl ester of 4-hydroxybenzoic acid (para-hydroxybenzoic acid). It is a white crystalline powder with a slight characteristic odor. Due to its broad-spectrum antimicrobial activity, it is widely used as a preservative in cosmetics, pharmaceuticals, and food industries. Among parabens, it has the strongest antifungal and antibacterial activity but has low water solubility. Therefore, it is often used in combination with other parabens such as methyl, ethyl, or propyl paraben. Its use in cosmetic products is subject to specific concentration limits due to regulatory restrictions.
ITEM 2: CHEMICAL STRUCTURE AND MOLECULAR PROPERTIES
| Parameter | Description |
|---|---|
| Chemical Family | Paraben Ester |
| Structure | Ester of 4-hydroxybenzoic acid and butanol |
| Functional Groups | Ester (-COO-), Hydroxyl (-OH), Aromatic ring |
| Molecular Structure | HO-C₆H₄-COO-(CH₂)₃-CH₃ |
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)O |
| InChI Key | QFOHBWFCKVYLES-UHFFFAOYSA-N |
| pKa | 8.5 |
| LogP | 3.57 |
Structural Formula:
text
O
||
C - O - CH₂ - CH₂ - CH₂ - CH₃
/ \
/ \
\ /
\ /
C - OH
|
(Aromatic Ring)
Description: Butyl Paraben is formed by the esterification of 4-hydroxybenzoic acid with butanol. The molecule contains an ester group (-COO-), a hydroxyl group (-OH), and an aromatic ring. The presence of the butyl group (four-carbon chain) provides increased lipophilicity compared to methyl and ethyl parabens, which means better solubility in oil-based formulations and stronger antimicrobial activity. However, its water solubility is lower.
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: Butyl 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 | 67 – 70 °C | 68 – 72 °C | DSC |
| Boiling Point | 156 – 157 °C (3.5 mmHg) | – | – |
| Density | 1.28 g/cm³ | – | – |
| Flash Point | 181 °C | – | ASTM D93 |
| pKa | 8.5 | – | – |
| Water Solubility (17°C) | < 0.1 g/100 mL | – | – |
Description: Butyl Paraben has a melting point of 67-70°C. Its density is 1.28 g/cm³. It has very low water solubility (<0.1 g/100 mL), so it is typically dissolved in organic solvents such as ethanol, acetone, or ether for use. The high flash point (181°C) indicates moderate flammability.
ITEM 5: SOLUBILITY AND MISCIBILITY
| Solvent / Medium | Solubility / Miscibility |
|---|---|
| Water | Very low (< 0.1 g/100 mL, 17°C) |
| Hot Water | Slightly soluble |
| Ethanol | Readily soluble |
| Acetone | Readily soluble |
| Ether | Readily soluble |
| Chloroform | Readily soluble |
Description: Butyl Paraben has very low solubility in water. Therefore, for use in water-based formulations, it is typically pre-dissolved in organic solvents such as ethanol, acetone, or ether, or used in combination with other parabens.
ITEM 6: PURITY AND ANALYTICAL SPECIFICATIONS
| Parameter | Specification | Typical Value | Test Method |
|---|---|---|---|
| Purity (HPLC) | ≥ 99.0% | 99.5% | HPLC |
| Melting Point | 68 – 71 °C | 68 – 72 °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: Butyl 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. Related substances (other parabens and synthesis by-products) are strictly controlled.
ITEM 7: ANTIMICROBIAL ACTIVITY
| Microorganism | Activity | Minimum Inhibitory Concentration (MIC) |
|---|---|---|
| Gram-Positive Bacteria | Very Effective | Low |
| Staphylococcus aureus | Very Effective | 100 – 300 ppm |
| Gram-Negative Bacteria | Effective | Moderate |
| Pseudomonas aeruginosa | Moderate | > 400 ppm |
| Escherichia coli | Effective | 200 – 400 ppm |
| Yeasts | Very Effective | – |
| Candida albicans | Very Effective | 100 – 200 ppm |
| Molds | Very Effective | – |
| Aspergillus niger | Very Effective | 100 – 200 ppm |
Activity Spectrum: Butyl Paraben has the strongest antimicrobial activity among parabens. It is particularly effective against molds and yeasts. It also shows strong activity against Gram-positive bacteria. However, its low water solubility requires careful formulation to ensure homogeneous distribution. It is often used in combination with methyl, ethyl, or propyl paraben to achieve both broad-spectrum activity and good solubility.
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 |
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: 0.1-0.4%; Mixed: 0.8% | FDA regulations |
Description: In cosmetics, Butyl Paraben is used as a preservative to prevent microbial growth and extend product shelf life. It has the strongest antimicrobial activity among parabens. However, due to its low water solubility, it is typically used in combination with methyl, ethyl, or propyl paraben. It is restricted to a maximum concentration of 0.14% (single use) and 0.8% (mixed parabens) in the EU and Turkey.
ITEM 9: PHARMACEUTICAL APPLICATIONS
| Application | Function / Description |
|---|---|
| Topical Creams | Preservative, antimicrobial protection |
| Ointments | Preservative, antimicrobial protection |
| Oral Liquids | Preservative, antimicrobial protection |
| Tablet Coatings | Preservative, excipient |
| Pharmaceutical Formulations | Preservative (USP/EP grade) |
| Reference Standards | USP/EP reference standard |
Description: In pharmaceutical applications, Butyl Paraben is used as a preservative in topical creams, ointments, oral liquids, and tablet coatings. It is recognized in pharmacopoeia standards (USP/EP) and used as a reference standard in analytical testing.
ITEM 10: FOOD APPLICATIONS
| Application | Function / Description |
|---|---|
| Soy Sauce | Preservative (0.25 g/L) |
| Vinegar | Preservative (0.1 g/L) |
| Soft Drinks | Preservative (0.1 g/L) |
| Fruit Sauces | Preservative (0.2 g/L) |
| Fruits and Vegetables | Preservative (0.012 g/L) |
Description: In the food industry, Butyl Paraben is used as a preservative in soy sauce, vinegar, soft drinks, fruit sauces, and processed foods. However, its use as a food additive is strictly regulated.
ITEM 11: INDUSTRIAL APPLICATIONS
| Application | Function / Description |
|---|---|
| Analytical Reference Standards | Reference material for analytical testing |
| Organic Synthesis | Intermediate |
| Films and Coatings | Preservative additive |
Description: In industrial applications, Butyl Paraben is used as a reference standard in analytical laboratories, as an intermediate in organic synthesis, and as a preservative additive in films and coatings.
ITEM 12: 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: 0.1-0.4%; mixed: 0.8%) |
| Japan | Permitted (subject to regulations) |
| JECFA (FAO/WHO) | ADI approved |
| REACH (EU) | Registered |
| TSCA (USA) | Listed |
| EINECS (EU) | 202-318-7 |
| USP/EP | Recognized as pharmacopoeia standard |
Description: Butyl Paraben is permitted in cosmetic products at specified maximum concentrations in the EU and Turkey. It is also permitted by the FDA within specified limits. However, it is under consumer pressure due to "paraben-free" trends. Its use is more strictly regulated in some countries due to potential endocrine-disrupting concerns.
ITEM 13: COMPARISON WITH OTHER PARABENS
| 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 | Moderate | Low | 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) |
| Estrogenic Activity | Weak | Weak-Moderate | Moderate | Moderate-Strong |
ITEM 14: SAFETY AND TOXICOLOGICAL PROFILE
| Parameter | Description |
|---|---|
| Acute Oral Toxicity (LD50) | 13,200 mg/kg (mouse, oral) |
| Acute IP Toxicity (LD50) | 230 mg/kg (mouse, intraperitoneal) |
| Skin Irritation | Mild irritation (guinea pig, 5%/48h) |
| Carcinogenicity | Not classified |
| Mutagenicity | Not classified |
| Endocrine Disruption | Potential concern (paraben class) |
| Allergen Potential | May cause allergic reactions |
| Estrogenic Activity | Weak-Moderate (stronger than methyl/ethyl) |
ITEM 15: STORAGE AND SHELF LIFE
| Parameter | Description |
|---|---|
| Storage Temperature | 2 – 8°C (recommended) |
| 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 alkalis |
| 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.
