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Substance Name: Phytic acid
RN: 83-86-3
UNII: 7IGF0S7R8I
InChIKey: IMQLKJBTEOYOSI-GPIVLXJGSA-N

Note

  • Complexing agent for removal of traces of heavy metal ions. It acts also as a hypocalcemic agent.

Molecular Formula

  • C6-H18-O24-P6

Molecular Weight

  • 660.0282
 
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Names and Synonyms

Name of Substance

  • Fytic acid [INN]
  • myo-Inositol, hexakis(dihydrogen phosphate)
  • Phytic acid

MeSH Heading

  • Phytic acid

Synonyms

  • Acide fytique
  • Acide fytique [INN-French]
  • Acido fitico
  • Acido fitico [INN-Spanish]
  • Acidum fyticum
  • Acidum fyticum [INN-Latin]
  • Alkalovert
  • Alkovert
  • CCRIS 4513
  • EINECS 201-506-6
  • Fytic acid
  • Inosithexaphosphorsaure
  • Inosithexaphosphorsaure [German]
  • Inositol hexaphosphate
  • myo-Inosistol hexakisphosphate
  • myo-Inositol hexaphosphate
  • NSC 269896
  • Phytate
  • Phytic acid
  • Phytine
  • Saure des phytins
  • Saure des phytins [German]
  • UNII-7IGF0S7R8I

Systematic Names

  • Fytic acid
  • Hexakis(dihydrogen phosphate) myo-inositol (9CI)
  • Inositol, hexakis(dihydrogen phosphate), myo-
  • myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate)
  • myo-Inositol, hexakis(dihydrogen phosphate)
  • Phytic acid

Registry Numbers

CAS Registry Number

  • 83-86-3

FDA UNII

  • 7IGF0S7R8I

Other Registry Numbers

  • 1206549-44-1
  • 1242436-18-5
  • 50762-79-3
  • 78039-41-5
  • 894854-44-5

System Generated Number

  • 0000083863

Structure Descriptors

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

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 500mg/kg (500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology. Vol. 22, Pg. 279, 1982.
rabbit LDLo intravenous 45mg/kg (45mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) -6.540 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Atmospheric OH Rate Constant 3.63E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.