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Send EmailDimethyl Dicarbonate, Dimethyl Pyrocarbonate, DMDC, 4525-33-1
CAS Number: 4525-33-1
EC Number (EINECS): 224-859-8
Molecular Formula: C₄H₆O₅
Molecular Weight: 134.09 g/mol
E Number: E242
SECTION 1: CHEMICAL IDENTITY AND DEFINITION
| Parameter | Information |
|---|---|
| Chemical Name (IUPAC) | Dimethyl dicarbonate |
| Other Names | DMDC, Dimethyl pyrocarbonate, Dicarbonic acid dimethyl ester, Pyrocarbonic acid dimethyl ester |
| Chemical Formula | C₄H₆O₅ |
| Molecular Weight | 134.09 g/mol |
| CAS Number | 4525-33-1 |
| EC Number (EINECS) | 224-859-8 |
| E Number | E242 (Preservative) |
| Chemical Class | Dicarbonate ester |
| Appearance | Colorless liquid |
| Odor | Sharp, pungent, characteristic |
| Physical State (20°C) | Liquid |
SECTION 2: PHYSICAL PROPERTIES
| Property | Value |
|---|---|
| Appearance | Colorless liquid |
| Odor | Sharp, pungent, characteristic |
| Molecular Weight | 134.09 g/mol |
| Melting Point | 17 °C |
| Boiling Point | 172 °C (decomposes) |
| Density (20°C) | ~1.25 g/cm³ |
| Refractive Index (nD²⁰) | 1.392 |
| Solubility in Water | Limited (hydrolyzes in aqueous solutions) |
| Solubility in Organic Solvents | Soluble in ethanol, methanol, acetone, ether |
| Vapor Pressure (20°C) | ~0.3 hPa |
| Flash Point | 80 °C |
| Autoignition Temperature | 480 °C |
SECTION 3: CHEMICAL PROPERTIES
| Property | Information |
|---|---|
| Chemical Formula | C₄H₆O₅ |
| Molecular Weight | 134.09 g/mol |
| Chemical Class | Dicarbonate ester |
| Structure | Two methoxycarbonyl groups linked by oxygen |
| SMILES | COC(=O)OC(=O)OC |
| InChI Key | HCAJEUSONHSBGS-UHFFFAOYSA-N |
| Stability | Stable in closed containers; hydrolyzes in contact with moisture |
| Hydrolysis Products | Methanol + Carbon dioxide |
| Incompatible Materials | Strong oxidizing agents, strong acids, strong bases, moisture |
| Reactivity | Reacts with water, alcohols, amines |
Chemical Structure:
O O
|| ||
CH₃-O-C-O-C-O-CH₃
SECTION 4: MECHANISM OF ACTION
| Parameter | Description |
|---|---|
| Primary Function | Antimicrobial preservative; microbial inhibitor |
| Mechanism | Inactivates enzymes and proteins through carboxymethylation of amine and thiol groups |
| Target Microorganisms | Bacteria, yeast, molds |
| Mode of Action | Inhibits cellular metabolism; prevents microbial growth |
| Hydrolysis | Rapidly hydrolyzes to methanol and carbon dioxide; leaves no residues |
| Hydrolysis Half-Life (Water) | < 30 minutes at 20°C |
| Hydrolysis Half-Life (Beverage) | < 2 hours at 20°C |
SECTION 5: TECHNICAL FUNCTIONALITY
| Property | Description |
|---|---|
| Primary Function | Antimicrobial preservative; microbial stabilizer |
| Effect on Microorganisms | Kills or inhibits bacteria, yeast, and molds |
| Application | Added to beverages prior to bottling |
| Advantages | Does not affect taste, color, or aroma |
| No Residue | Hydrolyzes to harmless compounds (methanol + CO₂) |
| Shelf Life Extension | Extends product shelf life significantly |
| GMP Application | Applied under Good Manufacturing Practice |
SECTION 6: FOOD INDUSTRY APPLICATIONS (E242)
| Application | Description |
|---|---|
| Non-Alcoholic Beverages | Soft drinks, carbonated beverages, ready-to-drink teas |
| Wine | Stabilization of wine; prevents refermentation |
| Fruit Juices | Fruit and vegetable juices; prevents microbial spoilage |
| Flavored Beverages | Flavored water, sports drinks |
| Alcoholic Beverages | Wine, cider, other fermented beverages |
| Tea and Coffee Drinks | Ready-to-drink coffee and tea products |
SECTION 7: TYPICAL USAGE LEVELS
| Application | Typical Dosage | Maximum Limit |
|---|---|---|
| Non-Alcoholic Beverages | 200-250 mg/L | 250 mg/L |
| Wine | 200-250 mg/L | 250 mg/L |
| Fruit Juices | 200-250 mg/L | 250 mg/L |
| Flavored Beverages | 200-250 mg/L | 250 mg/L |
| Maximum Allowed | 250 mg/L | 250 mg/L |
SECTION 8: REGULATORY STATUS
| Region / Authority | Status |
|---|---|
| European Union (EFSA) | Approved as E242 |
| USA (FDA) | Approved as GRAS (21 CFR 172.133) |
| Turkey | Approved (Türk Gıda Kodeksi) |
| JECFA (FAO/WHO) | Approved; ADI: 0-0.05 mg/kg bw/day (expressed as methanol) |
| Codex Alimentarius | Approved (INS 242) |
| Maximum Usage Level | 250 mg/L in beverages |
SECTION 9: METABOLISM AND RESIDUE INFORMATION
| Parameter | Information |
|---|---|
| Hydrolysis Products | Methanol + Carbon dioxide |
| Hydrolysis Rate | Rapid; complete within minutes to hours |
| Residue | No residual active substance remains |
| Methanol Formation | 1 mg DMDC forms approximately 0.24 mg methanol |
| Methanol Safety | Methanol formation is within safe limits at normal usage levels |
| Excretion | Methanol is metabolized and excreted normally |
SECTION 10: TOXICOLOGICAL INFORMATION
| Parameter | Value |
|---|---|
| Oral LD50 (Rat) | 250-500 mg/kg |
| Dermal LD50 (Rabbit) | > 2,000 mg/kg |
| Inhalation LC50 (Rat) | 5.5 mg/L (4 hours) |
| ADI (Acceptable Daily Intake) | 0-0.05 mg/kg bw/day (expressed as methanol) |
| Carcinogenicity | Not classified as carcinogenic |
| Mutagenicity | Negative in standard tests |
| Reproductive Toxicity | No evidence of adverse effects |
SECTION 11: GHS CLASSIFICATION
| Hazard Class | Category |
|---|---|
| Acute Toxicity (Oral) | Category 4 (H302) |
| Skin Corrosion/Irritation | Category 2 (H315) |
| Eye Damage/Irritation | Category 2 (H319) |
| Specific Target Organ Toxicity (STOT - SE) | Category 3 (H335) |
| Signal Word | Warning |
SECTION 12: HAZARD STATEMENTS (H-CODES)
| Code | Statement |
|---|---|
| H302 | Harmful if swallowed |
| H315 | Causes skin irritation |
| H319 | Causes serious eye irritation |
| H335 | May cause respiratory irritation |
SECTION 13: PRECAUTIONARY STATEMENTS (P-CODES)
| Code | Statement |
|---|---|
| P261 | Avoid breathing vapors |
| P280 | Wear protective gloves/eye protection |
| P301+P312 | IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell |
| P302+P352 | IF ON SKIN: Wash with plenty of soap and water |
| P305+P351+P338 | IF IN EYES: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing |
SECTION 14: FIRST AID MEASURES
| Exposure Route | Action |
|---|---|
| Inhalation | Move to fresh air. If respiratory irritation persists, seek medical attention. |
| Skin Contact | Wash with plenty of soap and water. Remove contaminated clothing. |
| Eye Contact | Rinse immediately with plenty of water for at least 15 minutes. Seek medical attention. |
| Ingestion | Rinse mouth. Do not induce vomiting. Seek medical attention. |
SECTION 15: STORAGE AND SHELF LIFE
| Parameter | Information |
|---|---|
| Storage Conditions | Cool (15-25°C), dry, well-ventilated area |
| Container Requirements | Tightly closed, moisture-proof containers |
| Protect From | Moisture, strong oxidizing agents, strong acids, strong bases |
| Shelf Life | 12-24 months (unopened original packaging) |
| Stability Note | Hydrolyzes in contact with moisture; keep tightly sealed |
SECTION 16: PACKAGING OPTIONS
| Packaging Type | Quantity | Material |
|---|---|---|
| Glass bottle | 1 kg | Amber glass |
| Glass bottle | 5 kg | Amber glass |
| Plastic drum | 25 kg | HDPE |
| Plastic drum | 200 kg | HDPE |
| IBC Container | 1,000 kg | Plastic |
SECTION 17: TRANSPORT INFORMATION
| Parameter | Information |
|---|---|
| UN Number | Not regulated (not dangerous goods) |
| Hazard Class | Not applicable |
| Packing Group | Not applicable |
| ADR/RID | Not regulated |
| IMDG Code | Not regulated |
| IATA (Air) | Not regulated |
| Marine Pollutant | No |
SECTION 18: FIRE-FIGHTING MEASURES
| Parameter | Information |
|---|---|
| Fire Hazard | Combustible liquid |
| Flash Point | 80 °C |
| Autoignition Temperature | 480 °C |
| Suitable Extinguishing Media | CO₂, dry chemical powder, alcohol-resistant foam, water spray |
| Specific Hazards | When heated, emits CO, CO₂, toxic fumes |
| Protective Equipment | Self-contained breathing apparatus (SCBA), full protective clothing |
SECTION 19: ACCIDENTAL SPILLAGE AND CLEANUP
| Parameter | Information |
|---|---|
| Personal Protection | Nitrile gloves, protective goggles, chemical-resistant clothing |
| Cleaning Methods | Absorb with inert material (sand, vermiculite); dispose in sealed containers |
| Environmental Precautions | Prevent entry into drains, soil, and surface waters |
| Waste Disposal | According to local regulations; incineration at licensed facilities |
SECTION 20: SUMMARY AND CRITICAL NOTES
Product Summary
| Parameter | Value |
|---|---|
| Product | Dimethyl Dicarbonate (DMDC) |
| CAS Number | 4525-33-1 |
| E Number | E242 |
| Appearance | Colorless liquid |
| Molecular Weight | 134.09 g/mol |
| Primary Function | Antimicrobial preservative |
| Maximum Usage | 250 mg/L in beverages |
| ADI | 0-0.05 mg/kg bw/day (as methanol) |
Critical Notes
Effective Antimicrobial: DMDC is a powerful antimicrobial agent effective against bacteria, yeast, and molds.
No Residue: Hydrolyzes rapidly to methanol and carbon dioxide; leaves no active residues in the final product.
Taste Neutrality: Does not affect taste, color, or aroma of beverages.
Regulatory Status: Approved in EU (E242), USA (GRAS), JECFA, and Codex Alimentarius.
Maximum Usage: Limited to 250 mg/L in beverages under GMP.
ADI (as Methanol): 0-0.05 mg/kg body weight/day.
Hydrolysis Products: Methanol + CO₂; methanol formed is within safe limits.
Application Timing: Must be added prior to bottling; requires contact time for efficacy.
Handling: Moisture-sensitive; must be stored in tightly sealed containers.
Common Applications: Soft drinks, wine, fruit juices, ready-to-drink teas, sports drinks.
IMPORTANT DECLARATION: This Technical Data Sheet (TDS) is for informational purposes only and has been prepared based on available technical data. The user is responsible for determining the product's suitability for their specific application and for complying with all local, national, and international regulations. For complete safety, storage, use, transport, waste, and regulatory compliance information, refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier.