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Phytic Acid, Myo-inositol Hexakisphosphate, Inositol Hexaphosphoric Acid, IP6, E391, 83-86-3

Phytic Acid, Myo-inositol Hexakisphosphate, Inositol Hexaphosphoric Acid, IP6, E391, 83-86-3

Phytic Acid (Myo-Inositol Hexakisphosphate – E391)

CAS Number: 83-86-3
Chemical Formula: C₆H₁₈O₂₄P₆
Molecular Weight: 660.04 g/mol
E Number: E391
Synonyms: Phytic Acid, Myo-Inositol Hexakisphosphate, Inositol Hexaphosphate (IP6), Inositol Hexaphosphoric Acid, Phytate (salt form)

1. CHEMICAL IDENTITY

Parameter Information
Product Name Phytic Acid
IUPAC Name (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis(dihydrogen phosphate)
CAS Number 83-86-3
Molecular Formula C₆H₁₈O₂₄P₆
Molecular Weight 660.04 g/mol
E Number E391
Chemical Class Inositol phosphate, Organophosphate, Natural antioxidant, Chelating agent
Synonyms Phytic Acid, Myo-Inositol Hexakisphosphate, Inositol Hexaphosphate (IP6), Inositol Hexaphosphoric Acid, Phytate (salt form)

2. PHYSICAL PROPERTIES

Parameter Value
Physical State (20°C) Solid (crystalline powder) or Liquid (50% aqueous solution)
Color White to off-white
Appearance Crystalline powder or clear to slightly yellow solution
Odor Odorless
Taste Slightly acidic
Density 1.432 g/mL at 25°C
pH (1% solution) 3.0 – 4.0 (acidic)
Melting Point >200°C (decomposes)
Solubility in Water Soluble (forms acidic solution)
Hydroscopicity Hygroscopic (absorbs moisture)

3. SOLUBILITY PROPERTIES

Solvent Solubility
Water Soluble
Ethanol Slightly soluble
Acetone Insoluble
Ether Insoluble
Most Organic Solvents Insoluble

4. CHEMICAL PROPERTIES

Parameter Information
Functional Groups Six phosphate groups (-PO₄H₂)
pKa Values Multiple (1.8 – 9.5) – polyprotic acid
Chelating Ability Very strong (hexadentate ligand)
Metal Binding Binds Fe³⁺, Zn²⁺, Ca²⁺, Mg²⁺, Cu²⁺, Mn²⁺
Antioxidant Mechanism Chelates pro-oxidant metal ions (Fe, Cu)
Hydrolysis Hydrolyzed by phytase enzyme to lower inositol phosphates
Thermal Stability Stable at 100-250°C (frying applications)

Phosphate Groups: Phytic acid contains six phosphate groups, making it a strong hexadentate chelator. Each phosphate group can bind metal ions.

5. TYPICAL PRODUCT SPECIFICATIONS

Parameter Crystalline Powder 50% Aqueous Solution Test Method
Phytic Acid Content ≥ 95-98% 45-55% (as is) Titration/HPLC
Phosphorus (P) Content ~28% (calculated) ~14% Titration
Moisture ≤ 5% ~50% Karl Fischer
pH (1% solution) 3.0-4.0 3.0-4.0 (diluted) Potentiometric
Heavy Metals (as Pb) ≤ 10 ppm ≤ 10 ppm AAS/ICP
Arsenic (As) ≤ 3 ppm ≤ 3 ppm AAS
Lead (Pb) ≤ 5 ppm ≤ 5 ppm AAS
Cadmium (Cd) ≤ 1 ppm ≤ 1 ppm AAS
Inorganic Phosphorus ≤ 0.5% ≤ 0.5% Titration
Appearance White crystalline powder Clear to slightly yellow liquid Visual

6. NATURAL SOURCES

Source Phytic Acid Content
Wheat Bran 3-6%
Rice Bran 5-8%
Corn (Maize) Germ 5-7%
Soybeans 1-2%
Chickpeas 0.5-1.5%
Lentils 0.5-1.5%
Nuts (Almonds, Walnuts) 1-3%
Sesame Seeds 4-6%

Key Point: Unrefined foods (whole grains, legumes, nuts) contain higher levels of phytic acid.

7. PRODUCTION PROCESS

Step Description
Raw Material Rice bran, wheat bran, or corn steep liquor
Extraction Aqueous extraction under acidic conditions (pH 2-4)
Purification Filtration, ion exchange resins, or calcium phytate precipitation
Conversion Calcium phytate → Acidification → Phytic acid
Concentration Vacuum evaporation
Formulation Crystalline powder or 50% aqueous solution

Alternative Method: Enzymatic hydrolysis using phytase enzyme (IP6 → IP5 → IP4 → lower inositol phosphates).

8. FUNCTIONAL PROPERTIES

Function Description
Antioxidant Chelates pro-oxidant metal ions (Fe³⁺, Cu²⁺) – prevents oxidative rancidity
Chelating Agent Strong hexadentate chelator; binds Fe, Zn, Ca, Mg, Cu, Mn
Natural Preservative Extends shelf life by preventing oxidation and metal-catalyzed reactions
pH Buffer Multiple pKa values provide buffering capacity
Anticorrosion Forms protective complexes on metal surfaces
Melanin Inhibitor Inhibits tyrosinase activity in cosmetic applications

9. APPLICATIONS – FOOD INDUSTRY (E391 – Antioxidant and Preservative)

Application Function Typical Use Level
Edible Oils and Fats Antioxidant; prevents oxidative rancidity 0.01 – 0.1%
Frying Oils Metal chelator; extends oil life (100-250°C stable) 0.01 – 0.05%
Bakery Products Preservative; extends shelf life 0.01 – 0.1%
Meat and Seafood Color stabilizer; prevents discoloration 0.01 – 0.1%
Canned Vegetables Color preservation; metal ion control 0.01 – 0.05%
Beverages Metal chelator; prevents off-flavors 0.005 – 0.02%
Marinades (Pre-frying) Applied to food before frying to reduce oil absorption 0.1 – 0.5%

Key Food Application: Phytic acid is used as a natural alternative to synthetic antioxidants (BHA, BHT) in frying oils. It is stable at 100-250°C and delays oil oxidation.

10. APPLICATIONS – COSMETICS AND PERSONAL CARE

Application Function Typical Concentration
Skin Lightening / Anti-Pigmentation Inhibits melanin production; tyrosinase inhibitor 0.5 – 2.0%
Anti-Aging Creams Antioxidant; collagen enhancement 0.5 – 1.5%
Toners and Peels Exfoliant; metal chelator 0.5 – 2.0%
Sunscreen Antioxidant booster; metal chelator 0.1 – 0.5%
Hair Care Metal chelator (removes calcium from hair) 0.1 – 0.5%
Soap and Cleansers Metal ion control; improves foaming 0.1 – 0.5%

Cosmetic Benefits:

  • Tyrosinase inhibitor (reduces melanin production)

  • Antioxidant (reduces oxidative stress)

  • Collagen synthesis enhancer

  • Natural EDTA alternative (sodium phytate form)

Phytate (Sodium Phytate) in Cosmetics: Sodium phytate (the sodium salt of phytic acid) is widely used as a natural, biodegradable alternative to EDTA in cosmetic formulations.

11. APPLICATIONS – SODIUM PHYTATE (Natural EDTA Alternative)

Property Sodium Phytate EDTA
Origin Natural (plant-derived) Synthetic
Biodegradability High Low
Chelating Strength Strong Very strong
pH Range Effective 4-12 Effective 4-12
Cosmetic Use Preservative booster, metal chelator Metal chelator
Environmental Profile Eco-friendly Persistent

Sodium Phytate Benefits in Cosmetics:

  • Natural preservative booster

  • Improves foaming in cleansers (removes hardness ions)

  • Stabilizes color and fragrance

  • Precribes metal-catalyzed degradation

12. APPLICATIONS – FRYING OILS (Thermal Stability)

Parameter Information
Thermal Stability Range 100 – 250°C
Mechanism Chelates pro-oxidant metals (Fe, Cu) in oil
Effect Reduces oil oxidation by 30-50%
Comparison to Synthetic Antioxidants Comparable or better than BHA/BHT in some oils
Application Method Direct addition to oil (0.01-0.05%) or pre-treatment of food (marinade)

Frying Application Notes:

  • Phytic acid is stable at typical frying temperatures (150-200°C)

  • Does not decompose or form off-flavors

  • Can be added directly to frying oil

  • Can be applied as a pre-fry marinade (0.1-0.5% solution)

13. APPLICATIONS – METAL PROCESSING AND ANTICORROSION

Application Function
Magnesium Alloy Coating Corrosion inhibitor (forms protective film)
Metal Surface Treatment Converts metal surface to corrosion-resistant layer
Rust Inhibitor Chelates iron and prevents rust formation
Water Treatment Scale inhibitor; metal ion control

14. APPLICATIONS – AGRICULTURE AND FERTILIZERS

Application Function
Soil Amendment Chelates micronutrients (Fe, Zn, Cu); improves bioavailability
Phytase Enzyme Addition Releases phosphorus from phytic acid in animal feed
Organic Fertilizer Additive Phosphorus source (after phytase treatment)
Seed Treatment Reduces metal toxicity in germination

15. APPLICATIONS – DENTISTRY

Application Function
Endodontic Filler Binding agent in root canal fillings
Irrigation Solution Chelates calcium and removes smear layer
Metal Ion Control Precipitates metal ions in dental materials

16. COMPARISON: PHYTIC ACID vs. OTHER CHELATORS

Property Phytic Acid EDTA Citric Acid Sodium Phytate
Origin Natural Synthetic Natural Natural
Biodegradability High Low High High
Chelating Strength Very strong Very strong Weak Very strong
Number of Binding Sites 6 (hexadentate) 6 (hexadentate) 3 (tridentate) 6 (hexadentate)
pH Range 2-12 4-12 2-8 4-12
Metal Binding Fe, Zn, Ca, Mg, Cu Fe, Ca, Mg, Cu Fe, Cu, Ca Fe, Zn, Ca, Mg, Cu
Food Use (E number) E391 E385 E330 Not assigned
Cosmetic Use Direct or as salt Direct Direct Preferred (natural)

17. ALTERNATIVES TO PHYTIC ACID

Alternative Properties Notes
Sodium Phytate Natural, biodegradable Preferred in cosmetics (EDTA alternative)
Tetrasodium Glutamate Diacetate (GLDA) Biodegradable, strong chelator Dissolvine GL; used in preservative systems
Citric Acid Mild chelator, antioxidant Food and cosmetic use
Ascorbic Acid (Vitamin C) Antioxidant, color preservative Reduces oil oxidation
Sodium Gluconate Metal ion binder Food and cosmetic use

18. SAFETY AND TOXICOLOGICAL PROFILE

Parameter Value
Acute oral toxicity (rat, LD₅₀) ~3,000 – 5,000 mg/kg (low to moderate toxicity)
Acute dermal toxicity (rabbit, LD₅₀) >2,000 mg/kg
Skin irritation Non-irritating to mildly irritating
Eye irritation Mildly irritating
Skin sensitization Not a sensitizer
Carcinogenicity Not classified as carcinogenic
Mutagenicity Negative

GHS Classification: Not classified as hazardous under normal conditions of use (diluted solutions).

Nutritional Note: Phytic acid can bind dietary minerals (Fe, Zn, Ca) and reduce their bioavailability. This is only a concern at high dietary intake (e.g., unprocessed whole grains as staple food). At food additive levels (0.01-0.1%), the effect is negligible.

19. STORAGE AND HANDLING

Parameter Requirement
Storage Temperature 0-10°C (refrigerated preferred)
Container Airtight (Hygroscopic – absorbs moisture)
Light Protection Protect from direct sunlight
Humidity Low humidity
Shelf Life 24-36 months (crystalline powder); 12-24 months (50% solution)
Special Precautions Store in airtight container. Avoid exposure to moisture and heat.

Stability Note: Phytic acid is stable under recommended storage conditions. It decomposes upon prolonged heating at high temperatures (>250°C).

20. SUMMARY AND CRITICAL INFORMATION

Description: Phytic Acid (Myo-Inositol Hexakisphosphate, IP6, CAS 83-86-3) is a natural organophosphate compound containing six phosphate groups. It is a white crystalline powder or 50% aqueous solution. Phytic acid is a strong hexadentate chelator (six binding sites), powerful antioxidant, and natural preservative. It is found naturally in whole grains (wheat bran, rice bran), legumes (soybeans, chickpeas), nuts, and oilseeds. As E391, it is approved as a food additive (antioxidant and preservative).

Key Advantages:

  • Natural, plant-derived, biodegradable

  • Strong hexadentate chelator (binds Fe, Zn, Ca, Mg, Cu)

  • Powerful antioxidant (chelates pro-oxidant metals)

  • Thermal stability (100-250°C) – suitable for frying oils

  • Natural EDTA alternative (sodium phytate form in cosmetics)

  • Tyrosinase inhibitor (skin lightening in cosmetics)

Key Limitations/Precautions:

  • Hygroscopic (absorbs moisture – requires airtight storage)

  • Can bind dietary minerals at high intake levels (negligible at additive levels)

  • Acidic pH (3.0-4.0) – may require pH adjustment

  • Moderate acute oral toxicity (LD₅₀ ~3,000-5,000 mg/kg)

Major Applications Summary:

Sector Primary Uses
Food Industry (E391) Antioxidant in edible oils and frying oils, preservative, metal chelator (0.01-0.1%)
Cosmetics Skin lightening (tyrosinase inhibitor), anti-aging, natural EDTA alternative (sodium phytate)
Frying Applications Extends frying oil life; stable at 100-250°C (0.01-0.05% in oil)
Metal Processing Corrosion inhibitor for magnesium alloys, rust inhibitor
Agriculture Soil amendment, phosphorus source (with phytase enzyme)
Dentistry Endodontic filler binding agent, irrigation solution

Frying Applications:

Parameter Value
Stability 100-250°C
Use Level 0.01 – 0.05% in oil
Application Direct addition to oil or pre-fry marinade (0.1-0.5%)
Effect Reduces oil oxidation by 30-50%; extends oil life

Comparison to Synthetic Antioxidants:

Property Phytic Acid (E391) BHA (E320) BHT (E321)
Origin Natural Synthetic Synthetic
Antioxidant Mechanism Metal chelation Radical scavenging Radical scavenging
Thermal Stability 100-250°C 100-200°C 100-200°C
Toxicity Low Moderate (concerns) Moderate (concerns)
Consumer Perception Natural (clean label) Synthetic Synthetic

Sodium Phytate (Natural EDTA Alternative):

Property Sodium Phytate EDTA
Origin Natural (plant-derived) Synthetic
Biodegradability High Low
Use in Cosmetics Preservative booster, metal chelator Metal chelator

Safety Summary:

  • Low to moderate acute oral toxicity (LD₅₀ ~3,000-5,000 mg/kg)

  • Not classified as hazardous under normal use

  • Approved as food additive (E391 – antioxidant)

  • Use in cosmetics safe at recommended levels (0.5-2.0%)

Storage: Refrigerated (0-10°C), airtight, dry; 24-36 months shelf life (powder); 12-24 months (50% solution).

Conclusion: Phytic Acid (IP6, E391) is a natural, plant-derived organophosphate with six phosphate groups, making it a strong hexadentate chelator and powerful antioxidant. It is used in the food industry (E391) as an antioxidant in edible oils and frying oils (stable at 100-250°C), preservative, and metal chelator (0.01-0.1%). In cosmetics, phytic acid (or sodium phytate) is used as a natural EDTA alternative, tyrosinase inhibitor (skin lightening), and anti-aging agent. In frying applications, it extends frying oil life by 30-50% by chelating pro-oxidant metals. Sodium phytate, the sodium salt of phytic acid, is widely used as a natural, biodegradable alternative to EDTA in cosmetic formulations. With excellent chelating and antioxidant properties, natural origin, and thermal stability, phytic acid is a sustainable choice for food preservation, cosmetic formulations, and metal processing applications.

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