Phytic acid
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Phytic acid
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CAS No:
83-86-3
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Formula:
C6H18O24P6
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Chemical Name:
Phytic acid
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Synonyms:
myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate);Inositol,hexakis(dihydrogen phosphate),myo-;myo-Inositol,hexakis(dihydrogen phosphate);Fytic acid;Phytic acid;myo-Inositol hexaphosphate;Inositol hexakis(phosphate);Inositol hexaphosphate;Alkalovert;myo-Inositol hexakis(phosphate);IP6;meso-Inositol hexaphosphate;Inositol 1,2,3,4,5,6-hexakisphosphate;Phyliance;InsP6;Exfoderm Forte;Exfoderm;WHL;WHL (depressant);RP 3000;RP 3000 (rust inhibitor);Dermofeel PA 3;IP 6J;50762-79-3;78039-41-5;894854-44-5;1206549-44-1;1242436-18-5
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CAS No:
Description
Phytic acid is a major phosphorus storage compound of most seeds and cereal grains.
Myo-inositol hexakisphosphate is a myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated. It has a role as an iron chelator, an antineoplastic agent, a signalling molecule, an Escherichia coli metabolite, a mouse metabolite and a cofactor. It is a conjugate acid of a myo-inositol hexakisphosphate(12-).|Phytic acid is under investigation in clinical trial NCT01000233 (Value of Oral Phytate (InsP6) in the Prevention of Progression of the Cardiovascular Calcifications).|Complexing agent for removal of traces of heavy metal ions. It acts also as a hypocalcemic agent.
Characteristics
459.42000
-10.3
colourless to pale yellow liquid
1.285
<25 °C
1190.666ºC at 760 mmHg
673.9±37.1 °C
1.391
Micible with water.
Refrigerator
LD50 intravenous in mouse: 500mg/kg
193.29 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|215.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|195.4 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|201.3 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Safety Information
III
8
UN 1760
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R36/37/38
S26-S37/39
NM7525000
Xi
Stable. Incompatible with strong oxidizing agents.
P260-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338
H290-H314-H335
|Danger|H290 (32.5%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P390, P403+P233, P404, P405, and P501|Aggregated GHS information provided by 198 companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Phytic acid Use and Manufacturing
Complexing agent for the removal of traces of heavy metal ions (also employed as the sodium salt). It acts also as a hypocalcemic agent. In the food industry, it is used for the preservation and color protection of fruits, vegetables and aquatic products. It is also used as metal anti-rust and anti-corrosion agent. It has anti-oxidation and chelation effect. It can be used for anti-oxidation and chelation of fruit and vegetable products, fruit and vegetable juice beverages, edible oils and meat products. Oxidation, the maximum use amount is 0.2g/kg, and it can also be used for the preservation of prawns. It can be used in appropriate amount according to production needs, and the residual amount is 20mg/kg.
myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate): ACTIVE
Cosmetics -> Chelating
Computed Properties
Molecular Weight:660.04
XLogP3:-10.3
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:12
Exact Mass:659.86137342
Monoisotopic Mass:659.86137342
Topological Polar Surface Area:401
Heavy Atom Count:36
Complexity:818
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
a chelating agent and mild exfoliant that binds to metals, brightens skin tone, and assists in removing surface debris
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