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Thiamine Mononitrate, Vitamin B1 Mononitrate, Thiamine Nitrate, Aneurine Mononitrate​​​​​​​​​​​​​​, 532-43-4

Thiamine Mononitrate, Vitamin B1 Mononitrate, Thiamine Nitrate, Aneurine Mononitrate, 532-43-4

THIAMINE MONONITRATE (VITAMIN B1 MONONITRATE)

SECTION 1: PRODUCT IDENTITY AND CHEMICAL IDENTIFICATION

Parameter Information
Product Name Thiamine Mononitrate
Synonyms (Turkish) Vitamin B1 Mononitrat, Tiamin Mononitrat, Tiamin Nitrat
Synonyms (English) Thiamine Mononitrate, Vitamin B1 Mononitrate, Thiamine Nitrate, Aneurine Mononitrate
Chemical Name (IUPAC) 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-3-ium nitrate
CAS Number 532-43-4
EC Number (EINECS) 208-537-4
Molecular Formula C₁₂H₁₇N₅O₄S
Molecular Weight 327.36 g/mol
Chemical Class Vitamin B1 (Thiamine) salt; Nitrate salt
Physical State (20°C) Solid (crystalline powder)
Color White to off-white
Odor Slight characteristic odor
Taste Slightly bitter

SECTION 2: CHEMICAL STRUCTURE

                    NH₂
                     |
                     C
                    / \
                   /   \
                  /     \
                 /       \
    CH₃—C——N——C—N        CH₂—N⁺
         |   |   \     /        |
    CH₃—C   C    C—CH₃         CH₂
         |   |   |             |
         S   C——H             C—OH
             |               / \
             H              /   \
                          CH₃   H

    Thiamine Mononitrate
    C₁₂H₁₇N₅O₄S
    (NO₃⁻ anion salt)

Simplified Structure:

    [Thiamine Cation]⁺ · [NO₃]⁻

    Thiamine Mononitrate
    Vitamin B1 Nitrate Salt
Parameter Description
Molecular Formula C₁₂H₁₇N₅O₄S
Molecular Weight 327.36 g/mol
Chemical Class Vitamin B1 (Thiamine) salt; Nitrate salt
Active Component Thiamine (Vitamin B1)
Anion Nitrate (NO₃⁻)
SMILES CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[O-]N+[O-]
InChI InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1
InChI Key JNMMJZBYHMQIBU-UHFFFAOYSA-N
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bond Count 4
Polar Surface Area (PSA) 154.9 Ų

SECTION 3: THIAMINE FORMS COMPARISON

Property Thiamine Mononitrate Thiamine Hydrochloride Thiamine Phosphate Benfotiamine
CAS Number 532-43-4 67-03-8 532-42-3 22457-89-2
Molecular Formula C₁₂H₁₇N₅O₄S C₁₂H₁₇ClN₄OS C₁₂H₁₉N₄O₇PS C₁₉H₂₃N₄O₆PS
Molecular Weight 327.36 g/mol 300.81 g/mol 420.40 g/mol 466.45 g/mol
Stability Highest High Moderate High
Water Solubility Good (2.5 g/100 mL) Very good (50 g/100 mL) Good Low (lipid-soluble)
Hygroscopicity Low High Moderate Low
Primary Use Food supplements, dry formulations Injections, aqueous solutions Enzyme cofactor Lipophilic form, neurological use
Dry Formulation Suitability Most Suitable Suitable (with moisture control) Moderate Most Suitable

SECTION 4: PHYSICAL AND CHEMICAL PROPERTIES

Property Value Test Method / Note
Appearance White to off-white crystalline powder Visual
Odor Slight characteristic odor Olfactometric
Molecular Weight 327.36 g/mol Calculated
Melting Point ~196-200°C (decomposes) DSC / Capillary
Density (20°C) ~1.5 g/cm³ (estimated) -
Water Solubility (20°C) Good (~2.5 g/100 mL) General Method
Hot Water Solubility Better soluble General Method
Ethanol Solubility Slightly soluble (~0.2 g/100 mL) General Method
Methanol Solubility Slightly soluble General Method
Acetone Solubility Practically insoluble General Method
pH (1% Solution) 5.5 – 7.0 (neutral) pH Meter
Log P (Octanol/Water) < -1.0 (hydrophilic) Calculated
Hygroscopicity Low (compared to hydrochloride) -
Vapor Pressure (25°C) Very low -
Thermal Stability Stable up to 150°C; decomposes at 200°C -
Flash Point >150°C -
Crystal System Monoclinic XRD
Optical Activity Not optically active -
UV Maximum (λmax) ~247 nm, ~270 nm (water) UV-VIS Spectrophotometer
Photostability Light sensitive (photodegradation) -

SECTION 5: BIOLOGICAL FUNCTION AND METABOLISM

Property Description
Active Form Converted in the body to Thiamine Pyrophosphate (TPP)
Coenzyme Role TPP is a cofactor for critical enzymes in carbohydrate metabolism (pyruvate dehydrogenase, α-ketoglutarate dehydrogenase, transketolase)
Energy Metabolism Plays a role in energy production from carbohydrates; Key role in glycolysis and Krebs cycle
Nervous System Supports nerve conduction and neurotransmitter synthesis; Maintains myelin sheath health
Heart Health Supports cardiac muscle function; Maintains healthy heart rhythm
Appetite Regulation Exhibits appetite-regulating effects; Supports growth and development
Eye Health Supports eye function; Maintains corneal health
Tissue Repair Plays a role in cell division and tissue repair
Absorption Absorbed from the small intestine (jejunum) via active transport
Storage Limited storage in the body (~25-30 mg); Regular intake required
Excretion Excreted in urine (excess amounts)

SECTION 6: NATURAL SOURCES

Food Thiamine Content (mg/100g)
Whole Grains 0.3 – 0.6
Wheat (whole) 0.5
Brown Rice 0.3
Oats 0.5
Meat 0.1 – 1.0
Pork (lean) 0.8 – 1.0
Beef 0.1 – 0.2
Chicken 0.1 – 0.2
Nuts and Seeds 0.2 – 0.8
Sunflower Seeds 0.7 – 0.8
Almonds 0.2
Peanuts 0.4
Legumes 0.1 – 0.5
Lentils 0.5
Chickpeas 0.3
Beans 0.2
Nutritional Yeast 5.0 – 15.0
Fish 0.1 – 0.3
Milk and Dairy Products 0.03 – 0.05

SECTION 7: THIAMINE DEFICIENCY

Condition Description
Beriberi (Wet Type) Cardiac symptoms: heart failure, edema, tachycardia, shortness of breath
Beriberi (Dry Type) Neurological symptoms: polyneuropathy, muscle weakness, gait disturbance, reflex loss
Wernicke-Korsakoff Syndrome Associated with chronic alcoholism; ophthalmoplegia, ataxia, confusion, memory loss; Medical emergency
Infantile Beriberi In infants; vomiting, convulsions, heart failure; Due to thiamine deficiency in breast milk
Subclinical Deficiency Fatigue, loss of appetite, irritability, constipation, mild muscle weakness
Risk Factors Chronic alcoholism, malnutrition, diabetes, bariatric surgery, elderly, HIV/AIDS, dialysis

SECTION 8: DAILY INTAKE RECOMMENDATIONS (NIH RDI)

Population Recommended Daily Intake
Adults (Male) 1.2 mg
Adults (Female) 1.1 mg
Pregnant Women 1.4 mg
Lactating Women 1.5 mg
Children (1-3 years) 0.5 mg
Children (4-8 years) 0.6 mg
Children (9-13 years) 0.9 mg
Adolescents (14-18 years, Male) 1.2 mg
Adolescents (14-18 years, Female) 1.0 mg
Infants (0-6 months) 0.2 mg
Infants (7-12 months) 0.3 mg

SECTION 9: APPLICATIONS AND INDUSTRY USAGE

Industry / Sector Application Typical Use
Food Industry Food fortification Enrichment of flour, pasta, rice, breakfast cereals, bread, dairy products, beverages; Typical concentration: 1-10 mg/kg
Pharmaceutical Industry Multivitamin formulations Tablets, capsules, injectable solutions, oral solutions, syrups; Typical dose: 1-50 mg/tablet
Animal Nutrition Feed additive Premixes to improve growth and productivity; Poultry, swine, cattle, cat, dog feeds; Typical concentration: 2-15 mg/kg feed
Agriculture Plant nutrition (limited) Thiamine application for plant growth (research stage)
Industrial Stable crystalline structure Preferred for long-term storage and ERP-compatible premixes

SECTION 10: FOOD ADDITIVE USE

Parameter Information
E Number None (classified as vitamin)
Function • Vitamin fortification (enrichment)
• Nutritional support
• Dietary supplement
Food Applications • Flour and flour products
• Pasta
• Rice
• Breakfast cereals
• Dairy products (fortified)
• Beverages (fortified)
• Infant formulas
• Diet products
Typical Concentration 1-10 mg/kg (food); 1-50 mg/tablet (supplement)
ADI (Acceptable Daily Intake) Not established (safe vitamin)
FDA Status GRAS (Generally Recognized as Safe); 21 CFR 184.1875
EFSA Status Approved food ingredient
Codex Alimentarius Approved

SECTION 11: PHARMACOPOEIA COMPLIANCE

Pharmacopoeia Standard Specifications
USP (United States Pharmacopeia) Thiamine Mononitrate White crystalline powder; 98.0-102.0% (on dried basis); pH 5.5-7.0 (1:100); nitrate test
EP (European Pharmacopoeia) Thiamine Mononitrate Similar to USP standards; additional purity tests
JP (Japanese Pharmacopoeia) Thiamine Mononitrate Specific quality requirements for Asian market
BP (British Pharmacopoeia) Thiamine Mononitrate British Pharmacopoeia standards
FCC (Food Chemicals Codex) Thiamine Mononitrate Food additive specifications
Microbiological Limits USP <61> TAMC <10² CFU/g; TYMC <10¹ CFU/g
Heavy Metal Limits USP <231> Pb <10 ppm, As <2 ppm, Hg <1 ppm

SECTION 12: QUALITY SPECIFICATIONS (USP/EP)

Parameter Specification (USP/EP) Test Method
Appearance White to off-white crystalline powder Visual
Assay (on dried basis) 98.0 – 102.0% HPLC / Titrimetric
pH (1:100 Solution) 5.5 – 7.0 pH Meter
Loss on Drying (105°C, 2 h) ≤1.0% Gravimetric
Residue on Ignition ≤0.1% Gravimetric
Nitrate Test Positive Chemical test
Chloride ≤0.02% Titrimetric
Sulfate ≤0.05% Turbidimetric
Heavy Metals (Pb) ≤10 ppm ICP-MS
Arsenic (As) ≤2 ppm ICP-MS
Lead (Pb) ≤3 ppm ICP-MS
Cadmium (Cd) ≤1 ppm ICP-MS
Mercury (Hg) ≤1 ppm ICP-MS
Related Substances (Single) ≤0.5% HPLC
Related Substances (Total) ≤1.0% HPLC
Particle Size As per customer specification Laser Diffraction
Microbiological Purity TAMC ≤10² CFU/g; TYMC ≤10¹ CFU/g USP <61>
E. coli Negative in 1g USP <62>
Salmonella spp. Negative in 25g USP <62>
S. aureus Negative in 1g USP <62>
P. aeruginosa Negative in 1g USP <62>

SECTION 13: SAFETY PROFILE AND TOXICOLOGICAL ASSESSMENT

Parameter Value / Description
GHS Classification Generally not classified as hazardous substance
Signal Word None (not hazardous)
Acute Oral Toxicity (LD50, Rat) >5000 mg/kg (very low toxicity)
Acute Dermal Toxicity (LD50, Rabbit) >2000 mg/kg (low toxicity)
Skin Irritation May cause mild irritation
Eye Irritation May cause mild irritation
Skin Sensitization Does not cause sensitization
Carcinogenicity Not classified as carcinogenic
Mutagenicity Not mutagenic
Reproductive Toxicity No reproductive toxicity
Target Organs Skin, eyes (dust)
Excess Intake Rare; mild side effects such as stomach upset, nausea may occur
Tolerable Upper Limit Not established (water-soluble vitamin; excess excreted in urine)
Drug Interactions • Furosemide (may increase thiamine excretion)
• Diuretics
• Digoxin (may decrease thiamine levels)
• Antacids (may reduce absorption)
Synergistic Vitamins B-complex vitamins (B2, B3, B6, B12, folic acid)

SECTION 14: FIRST AID MEASURES

Route of Exposure Action
Inhalation If inhaled as powder, move to fresh air. Seek medical attention if respiratory symptoms persist.
Skin Contact Remove contaminated clothing. Wash with plenty of soap and water. Seek medical attention if irritation develops.
Eye Contact Rinse thoroughly with plenty of water for at least 15 minutes. Keep eyelids open. Remove contact lenses if present. Seek medical attention if irritation persists.
Ingestion Rinse mouth with water. Do NOT induce vomiting. Drink 1-2 glasses of water. Seek medical attention.
Note Symptomatic treatment is administered. No specific antidote available.

SECTION 15: STORAGE AND SHELF LIFE

Parameter Information
Storage Conditions Store in a cool (<25°C), dry, well-ventilated area; protect from direct sunlight and moisture.
Temperature Limits 15-25°C (ideal); do not exceed 30°C
Humidity Low humidity environment (not hygroscopic)
Light Protect from UV light and direct sunlight (photodegradation)
Air (Oxygen) Stable against oxidation
Incompatible Materials Strong oxidizing agents, strong acids, strong bases, alkaline conditions (thiamine loss), sulfites
Container Requirements Light-proof, moisture-proof containers: Amber glass, aluminum foil, HDPE
Shelf Life 36-60 months (unopened original packaging, under proper storage conditions)
Shelf Life (After Opening) 12-24 months (under proper storage conditions)
Signs of Degradation Color change (yellowing), caking, odor change, decreased solubility, HPLC impurity increase
Stability Warning Heat treatment and alkaline medium may cause thiamine loss; May degrade under high humidity and light

SECTION 16: PACKAGING OPTIONS

Packaging Type Quantity / Capacity Material Application Area
Aluminum Foil Bag 1 kg, 5 kg, 10 kg, 25 kg Aluminum / PE (light and moisture proof) Food, pharmaceutical, feed industry
HDPE Drum 25 kg, 50 kg HDPE (opaque, moisture barrier) Industrial supply
Amber Glass Bottle 100 g, 500 g, 1 kg Amber glass (UV protected) Pharmaceutical, laboratory, high purity
Kraft Bag (PE Lined) 10 kg, 25 kg Kraft paper / PE liner Economical packaging
Fiber Drum 25 kg, 50 kg Fiber / PE liner Industrial supply
IBC Container 500 kg, 1000 kg UV-protected HDPE Large-scale industrial supply

SECTION 17: TRANSPORTATION INFORMATION

Parameter Information
UN Number Not applicable (not classified as dangerous substance)
Hazard Class Not applicable
Packing Group Not applicable
ADR/RID Not classified as dangerous goods
IMDG Code Not marine pollutant; not classified as dangerous goods
IATA (Air) Not classified as dangerous goods; can be transported by air
Transport Temperature Ambient temperature; protect from heat, moisture, and light
Transport Precautions Light-proof packaging; keep away from strong oxidizing agents
Spill Cleanup Collect mechanically; clean with absorbent material; avoid dust generation
Marine Pollutant No

SECTION 18: REGULATORY STATUS

Region / Authority Status
USA (FDA) GRAS (21 CFR 184.1875); Approved for food supplements and food fortification
USA (USP/NF) Official monograph
European Union (EC) Approved for food fortification (EC 1925/2006); EFSA approved
European Pharmacopoeia Official monograph
Turkey Approved as food supplement, pharmaceutical and feed additive; Subject to KKDIK and Ministry of Health regulations
Codex Alimentarius Approved (CXG 36-1989)
WHO Essential Medicines List Essential medicine (vitamin)
ECHA (REACH) Registered substance
TSCA (USA) Listed
California Prop 65 Not listed
Halal Yes (synthetic, not animal-derived)
Kosher Yes (with certification)
Vegan Yes (synthetic)

SECTION 19: OTHER NAMES AND SYNONYMS

Type Name
Chemical Name 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-3-ium nitrate
Common Names (Turkish) Tiamin Mononitrat, Vitamin B1 Mononitrat, Tiamin Nitrat
Common Names (English) Thiamine Mononitrate, Vitamin B1 Mononitrate, Thiamine Nitrate, Aneurine Mononitrate
Trade Marks Vitamin B1 Mononitrate, Thiamine Nitrate (bulk)
CAS Number 532-43-4
EC Number 208-537-4
PubChem CID 11250
DrugBank ID Not applicable (vitamin)
FDA UNII 4N92V2M6NF
E Number None (vitamin)
HS Code 2936.22

SECTION 20: GHS CLASSIFICATION AND LABELING

Parameter Information
GHS Classification Generally not classified as hazardous substance
Signal Word None (not hazardous)
Hazard Pictograms None (generally)
Hazard Statements (H-Codes) None (generally) or: H315 (Causes skin irritation), H319 (Causes serious eye irritation)
Precautionary Statements (P-Codes) P264, P280, P302+P352, P305+P351+P338, P332+P313, P337+P313, P362+P364
NFPA 704 Classification Health: 0, Flammability: 1, Reactivity: 0

SECTION 21: ENVIRONMENTAL IMPACT AND DISPOSAL

Parameter Information
Biodegradability Readily biodegradable (natural vitamin)
Aquatic Toxicity (EC50) >100 mg/L (Daphnia magna) - low toxicity
Aquatic Toxicity (LC50) >100 mg/L (fish) - low toxicity
Soil Mobility High (hydrophilic)
Bioaccumulation Potential Very low (hydrophilic)
Persistence Low; readily biodegradable
Disposal Method Dispose of in accordance with local, regional, and national regulations
Incineration Controlled incineration facilities; energy recovery possible
Sewer Discharge Do not discharge large quantities into sewers or water resources
Environmental Precautions Prevent environmental spread during spills; collect with absorbent material
Ecotoxicity Note Environmentally friendly; low ecotoxic potential

SECTION 22: FREQUENTLY ASKED QUESTIONS

Question Answer
Q1: What is Thiamine Mononitrate? Thiamine Mononitrate is the nitrate salt of Vitamin B1. It is a synthetic vitamin form that plays a critical role in carbohydrate metabolism and nervous system function.
Q2: What is the difference between Thiamine Mononitrate and Thiamine Hydrochloride? The mononitrate form is less hygroscopic and has a more stable crystalline structure compared to the hydrochloride. It is preferred in dry formulations (tablets, capsules, feed premixes). The hydrochloride form is more common in aqueous solutions (injections, syrups).
Q3: Is Thiamine Mononitrate safe? Yes, it is approved as GRAS (Generally Recognized as Safe) by FDA, EFSA and other authorities. As a water-soluble vitamin, excess is excreted in urine and toxicity is very low.
Q4: In which products is Thiamine Mononitrate used? It is used in flour, pasta, rice, breakfast cereals, multivitamin tablets, capsules, animal feeds, premixes, and infant formulas.
Q5: What does Thiamine Mononitrate deficiency cause? It can cause serious health problems such as beriberi (wet and dry types), Wernicke-Korsakoff syndrome, nervous system disorders, muscle weakness, heart failure, loss of appetite, and growth retardation.
Q6: Is Thiamine Mononitrate resistant to heat treatment? Heat treatment and alkaline medium may cause thiamine loss. Dosage should be adjusted considering cooking losses during food fortification.
Q7: What is the shelf life of Thiamine Mononitrate? 36-60 months under proper storage conditions (cool, dry, light-protected).
Q8: Is Thiamine Mononitrate vegan? Yes, it is synthetically produced and does not contain animal-derived ingredients.
Q9: How is Thiamine Mononitrate used in animal feed? It is used in premixes for growth, reproduction, energy metabolism and nervous system support. Typical concentration in poultry, swine, cattle, cat and dog feeds is 2-15 mg/kg feed.
Q10: What are the pharmacopoeia standards for Thiamine Mononitrate? It has official monographs in USP, EP, JP and BP pharmacopoeias. Specifications for purity, assay, pH, heavy metals and microbiological purity are established.

SECTION 23: QUICK REFERENCE TABLE

Property Value
CAS Number 532-43-4
Molecular Formula C₁₂H₁₇N₅O₄S
Molecular Weight 327.36 g/mol
Appearance White to off-white crystalline powder
Melting Point ~196-200°C (decomposes)
Water Solubility Good (~2.5 g/100 mL)
pH (1% Solution) 5.5 – 7.0
Primary Function Vitamin B1 (Thiamine) source
Recommended Daily Intake 1.2 mg (adult male); 1.1 mg (adult female)
Shelf Life 36-60 months
Storage Cool (<25°C), dry, light-protected
GHS Classification Generally not hazardous
FDA Status GRAS (21 CFR 184.1875)
USP/EP Status Official monograph
Halal / Kosher / Vegan Yes (synthetic)
Main Applications Food fortification, multivitamins, animal feeds, pharmaceutical formulations

SECTION 24: CRITICAL WARNINGS AND BEST PRACTICES

CRITICAL WARNINGS:

  1. Stability: The mononitrate form is more stable and less hygroscopic than the hydrochloride; it should be preferred in dry formulations (tablets, capsules, premixes).

  2. Heat treatment loss: Thiamine loss may occur during cooking and heat treatment (especially in alkaline conditions). Dosage should be adjusted considering losses in fortification.

  3. Light sensitivity: Thiamine Mononitrate is light sensitive. Store in light-proof containers.

  4. Alkaline conditions: Unstable in alkaline conditions; degradation accelerates at pH >7.

  5. Deficiency risk: Thiamine deficiency risk is high in chronic alcoholism, malnutrition, diabetes, bariatric surgery and dialysis patients.

  6. Drug interactions: Furosemide, diuretics, digoxin and antacids may affect thiamine levels.

  7. Regulations: Comply with regulations of relevant authorities (FDA, EFSA, Turkish Ministry of Health) for food, pharmaceutical and feed use.

BEST PRACTICE RECOMMENDATIONS:

  1. Form Selection: Use Thiamine Mononitrate for dry formulations (tablets, capsules, feed premixes). Use Thiamine Hydrochloride for aqueous solutions (injections, syrups).

  2. Dosage Calculation: Adjust dosage to compensate for cooking losses (generally 10-30%) in food fortification.

  3. Fortification: Ensure homogeneous distribution when enriching flour, rice, pasta and breakfast cereals with thiamine.

  4. Premix Preparation: Ensure homogeneous distribution when mixing Thiamine Mononitrate with other vitamins and minerals in feed premixes.

  5. Stability Studies: Test product stability during long-term storage; evaluate effects of moisture, temperature and light.

  6. Quality Control: Regularly perform assay (HPLC), pH, loss on drying, heavy metals, nitrate test and microbiological purity tests.

  7. Storage: Store in cool (<25°C), dry, light-proof containers. Protect from high humidity and light.

  8. Personnel Training: Train employees on dust control, PPE use and emergency procedures.

  9. Microbiological Control: Test powder form for microbiological contamination (TAMC, TYMC, pathogens).

  10. Spill Cleanup: Avoid dust generation; use HEPA-filtered vacuum or wet cleaning. Prevent entry into water and sewers.

LEGAL DISCLAIMER:

The information provided in this document is based on our current knowledge and experience and is presented in good faith. However, as all conditions of use are beyond our control, it does not constitute a binding specification or guarantee. This Technical Data Sheet is for informational purposes only. Users are responsible for testing suitability for their own applications and for complying with all local, regional, and national regulations. For complete safety, storage, use, handling, waste, and regulatory compliance information, please refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier. Thiamine Mononitrate is a vitamin compound; its use as a dietary supplement or food additive must comply with relevant regulations. For medical use, consult a healthcare professional.

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