(1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[dihydrogen (phosphate)]

Basic Information

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CAS Number

83-86-3

Molecular Formula

C6H18O24P6

Molecular Weight

660.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

105 °C

Density

1.432 g/mL at 25 °C

Water Solubility

MISCIBLE

Flash Point

1190.666 °C at 760 mmHg

Refractive Index

1.391

SMILES

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OP(=O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O

InChI

InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-

InChIKey

IMQLKJBTEOYOSI-GPIVLXJGSA-N

LogP

-3.132600000000001

Topological Polar Surface Area

400.56000000000006 Å²

Hydrogen Bond Donor/Acceptor

12 / 24

Complexity

818

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Stability

Stable. Incompatible with strong oxidizing agents.

Sensitiveness

heat-sensitive

Synonyms & References

English

Fytic acid
Inositol Hexaphosphate
Inositol-hexaphosphoric acid
myo-Inositol, hexakis(dihydrogen phosphate)
myo-Inositol hexakisphosphate
Myo-inositol hexaphosphate
Phytic acid
Phytic acid solution
(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
4,6-Dichloro-5-methylpyrimidine
PHYTIC ACID(RG)
(1R,2R,3S,4S,5R,6S)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]
Acidum fyticum
Alkalovert
Alkovert
Cyclohexanehexyl hexaphosphate
inositol hexakisphosphate
Inositol hexaphosphoric acid
myo-inositol 1,2,3,4,5,6-hexakisphosphate
myo-inositol-1,2,3,4,5,6-hexakis-dihydrogenphosphate
Phytate
Phytine
myo-Inositol hexakis(phosphate)
植酸
Acide fytique
Acido fitico
myo-Inosistol hexakisphosphate
Inositol 1,2,3,4,5,6-hexakisphosphate
Saure des phytins [German]
Saeure des phytins
Acide fytique [INN-French]

MDL Number

MFCD00082309

FAQ

What is (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[dihydrogen (phosphate)] (CAS: 83-86-3)?

Phytic acid, also known as inositol hexakisphosphate, is a natural organic compound with the chemical formula C6H18O12P6. It is a white, crystalline powder soluble in water, commonly found in plant seeds. As a phosphate ester of inositol, it acts as a chelating agent and antioxidant. Its structure includes six phosphate groups attached to a cyclohexanehexanol backbone, making it unique in biochemistry. CAS 83-86-3 identifies this compound as a key component in food and industrial applications.

What are the main uses of (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[dihydrogen (phosphate)] (CAS: 83-86-3)?

Phytic acid (CAS 83-86-3) is widely used in the food industry as a natural preservative and antioxidant. It is also employed in pharmaceuticals for its chelating properties, aiding in metal ion binding. In agriculture, it serves as a phosphorus source in animal feed. Additionally, it is used in research for studying its role in nutrient absorption and as a biodegradable additive. Its applications highlight its importance in both industrial and biological contexts.

Is (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[dihydrogen (phosphate)] (CAS: 83-86-3) safe?

Phytic acid (CAS 83-86-3) is generally recognized as safe (GRAS) for food use by regulatory agencies. However, high concentrations may cause gastrointestinal discomfort in some individuals. Proper handling, such as wearing gloves and avoiding inhalation, is recommended. It is non-toxic in moderate amounts but should be stored securely to prevent accidental exposure. Safety standards ensure its use in regulated quantities across industries.

How should (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[dihydrogen (phosphate)] (CAS: 83-86-3) be stored?

Phytic acid (CAS 83-86-3) should be stored in a cool, dry place away from moisture and direct light. It is best kept in airtight containers to maintain stability and prevent degradation. Storage temperature should remain below 25°C, and humidity levels should be controlled to avoid clumping. Avoid exposure to heat and light to preserve its chemical integrity and prolong shelf life.