Phytate

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  • Identifiers

    CAS number
    83-86-3

    Molecular formula
    C6H18O24P6

    SMILES
    C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.89%
    Clean 17.69%
    Green 13.68%
    Balsamic 13.43%
    Alcoholic 13.25%
    Sour 12.82%
    Savory 12.66%
    Sulfurous 12.25%
    Fresh 11.73%
    Sharp 11.09%

     

    Flavor
    Odorless 68.74%
    Sour 28.58%
    Mild 26.86%
    Very mild 26.1%
    Bland 25.47%
    Yeast 21.64%
    Sweet-like 20.57%
    Bitter 20.06%
    Formyl 19.85%
    Soy 19.35%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -10.3

    pKa est.
    1.54 (strong acid)

    Molecular weight
    660.04 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5334°C

    Flash point

    • 693.84 ˚C est.

  • Synonyms

    • Phytate
    • (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
    • Inositol 1,2,3,4,5,6-hexakisphosphate
    • RefChem:929237
    • Phytic acid
    • 83-86-3
    • Fytic acid
    • Alkalovert
    • Inositol hexaphosphate
    • myo-inositol hexakisphosphate
    • myo-Inositol hexaphosphate
    • Acide fytique
    • Acido fitico
    • Alkovert
    • Exfoderm
    • Phytine
    • Acidum fyticum
    • myo-Inosistol hexakisphosphate
    • inositol hexakisphosphate
    • Dermofeel pa-3
    • myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate)
    • myo-Inositol, hexakis(dihydrogen phosphate)
    • inositolhexaphosphoric acid
    • Inositol hexaphosphoric acid
    • CCRIS 4513
    • InsP6
    • Saeure des phytins
    • NSC-269896
    • Fytic acid [INN]
    • 1D-myo-inositol hexakisphosphate
    • myo-inositol hexakis(dihydrogen phosphate)
    • Inosithexaphosphorsaeure
    • MFCD00082309
    • IP6
    • 7IGF0S7R8I
    • INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), myo-
    • myo-inositol hexaphosphoric acid
    • myo-Inositol 1,2,3,4,5,6-hexakisphosphate
    • CHEBI:17401
    • D-chiro inositol hexakisphosphate
    • D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate
    • 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate
    • Phytin
    • NSC269896
    • E391
    • Phytic Acid Potassium Salt
    • rel-(1R,2r,3S,4R,5s,6S)-Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dihydrogen phosphate)
    • Phytic acid (potassium)
    • Phytic Acid (Technical Grade)
    • Saure des phytins
    • (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]
    • Saure des phytins [German]
    • Acide fytique [INN-French]
    • Acido fitico [INN-Spanish]
    • Acidum fyticum [INN-Latin]
    • 33705-24-7
    • IHP
    • myo-Inositol hexakis(phosphate)
    • Inosithexaphosphorsaure
    • Inosithexaphosphorsaure [German]
    • C6H18O24P6
    • EINECS 201-506-6
    • meso-Inositol hexaphosphate
    • UNII-7IGF0S7R8I
    • Inositol hexakis(phosphate)
    • NSC 269896
    • hexasodium-phytate
    • 1zsh
    • Potassium Phytate; IP6 Potassium Salt; Inositol Hexaphosphate Potassium Salt; Hexakis(dihydrogen phosphate)-myo-inositol Potassium Salt;
    • 1bq3
    • Phytic acid (Standard)
    • Hexakis(dihydrogen phosphate) myo-inositol
    • Phytic acid (dry powder)
    • PHYTIC ACID [MI]
    • Epitope ID:144992
    • FYTIC ACID [MART.]
    • SCHEMBL19249
    • FYTIC ACID [WHO-DD]
    • SCHEMBL136587
    • IP-6
    • orb1304788
    • orb3025193
    • SCHEMBL1681470
    • SCHEMBL1681701
    • SCHEMBL1682030
    • SCHEMBL9164308
    • SCHEMBL9741350
    • CHEMBL1233511
    • CHEMBL2005481
    • SCHEMBL12137150
    • SCHEMBL12138455
    • SCHEMBL12549553
    • SCHEMBL15374707
    • SCHEMBL17006482
    • HY-N0814R
    • diphosphoinositol tetrakisphosphate
    • DTXSID00861653
    • DTXSID40889331
    • MSK2315
    • CHEBI:187038
    • IMQLKJBTEOYOSI-OBXALCGXSA-N
    • HY-N0814
    • Phytic acid, 50% aqueous solution
    • EBC-44249
    • s3793
    • AKOS015856604
    • AKOS015901448
    • AC-8037
    • CCG-270338
    • CS-6330
    • DB14981
    • FP15327
    • FP59532
    • D-myo-Inositol 1,2,3,4,5,6-Hexakisphosphate Sodium Salt Hydrate, Zea mays (>85% purity)
    • NCGC00483012-01
    • FS-10465
    • NCI60_002200
    • NCI60_038627
    • PD006549
    • PD008378
    • PD054429
    • Phytic acid solution 50 % (w/w) in H2O
    • NS00007450
    • NS00122262
    • P0409
    • D-myo-Inositol-1,2,3,4,5,6-hexaphosphate
    • A11614
    • 83-86-3

  • Applications

    Phytate (CAS 83-86-3) is the salt or ester form of myo-inositol hexakisphosphate and is commonly used as a chelating or sequestering agent across several industries; in cleaning applications it improves detergent performance by binding hardness-causing metal ions; in cosmetics and personal care it stabilizes formulations and helps preserve color by sequestering trace metals; in coatings and inks it acts as a chelating additive to improve pigment stability and dispersion; in polymers and plastics it can serve as a phosphorus source or metal-binding ligand to enhance flame retardancy and network formation; in agriculture and animal feed contexts, phytate occurs naturally in plant-based ingredients and is studied in conjunction with phytase to improve mineral availability, while its anti-nutritional nature is noted in feed diets.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.45
    methanol 48.73
    isopropanol 7.9
    water 44.65
    ethyl acetate 5.3
    n-propanol 7.43
    acetone 21.81
    n-butanol 3.94
    acetonitrile 8.17
    DMF 142.17
    toluene 0.62
    isobutanol 2.65
    1,4-dioxane 11.47
    methyl acetate 9.23
    THF 19.97
    2-butanone 9.2
    n-pentanol 1.73
    sec-butanol 3.9
    n-hexane 0.18
    ethylene glycol 18.85
    NMP 81.41
    cyclohexane 0.42
    DMSO 276.54
    n-butyl acetate 3.69
    n-octanol 1.99
    chloroform 2.04
    n-propyl acetate 2.19
    acetic acid 19.89
    dichloromethane 3.83
    cyclohexanone 6.7
    propylene glycol 11.95
    isopropyl acetate 2.55
    DMAc 101.26
    2-ethoxyethanol 18.44
    isopentanol 1.62
    n-heptane 0.31
    ethyl formate 12.04
    1,2-dichloroethane 3.58
    n-hexanol 1.76
    2-methoxyethanol 61.51
    isobutyl acetate 0.48
    tetrachloromethane 0.73
    n-pentyl acetate 2.42
    transcutol 18.58
    n-heptanol 1.89
    ethylbenzene 0.24
    MIBK 1.56
    2-propoxyethanol 16.32
    tert-butanol 5.38
    MTBE 1.99
    2-butoxyethanol 10.12
    propionic acid 8.99
    o-xylene 0.59
    formic acid 65.62
    diethyl ether 4.52
    m-xylene 0.32
    p-xylene 0.28
    chlorobenzene 0.4
    dimethyl carbonate 14.1
    n-octane 0.19
    formamide 116.3
    cyclopentanone 15.2
    2-pentanone 5.17
    anisole 0.96
    cyclopentyl methyl ether 3.53
    gamma-butyrolactone 23.56
    1-methoxy-2-propanol 26.43
    pyridine 6.46
    3-pentanone 5.1
    furfural 21.78
    n-dodecane 0.13
    diethylene glycol 24.5
    diisopropyl ether 0.63
    tert-amyl alcohol 3.4
    acetylacetone 8.51
    n-hexadecane 0.14
    acetophenone 1.75
    methyl propionate 9.2
    isopentyl acetate 1.67
    trichloroethylene 2.98
    n-nonanol 1.94
    cyclohexanol 1.99
    benzyl alcohol 1.38
    2-ethylhexanol 0.73
    isooctanol 0.89
    dipropyl ether 2.59
    1,2-dichlorobenzene 0.41
    ethyl lactate 4.34
    propylene carbonate 7.9
    n-methylformamide 68.92
    2-pentanol 1.83
    n-pentane 0.33
    1-propoxy-2-propanol 9.37
    1-methoxy-2-propyl acetate 6.05
    2-(2-methoxypropoxy) propanol 8.34
    mesitylene 0.25
    ε-caprolactone 6.24
    p-cymene 0.36
    epichlorohydrin 12.08
    1,1,1-trichloroethane 0.93
    2-aminoethanol 20.25
    morpholine-4-carbaldehyde 46.94
    sulfolane 49.62
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 5.86
    n-hexyl acetate 2.41
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 10.67
    sec-butyl acetate 0.83
    tert-butyl acetate 2.2
    decalin 0.07
    glycerin 30.42
    diglyme 23.56
    acrylic acid 11.26
    isopropyl myristate 0.99
    n-butyric acid 6.45
    acetyl acetate 3.66
    di(2-ethylhexyl) phthalate 1.36
    ethyl propionate 2.85
    nitromethane 54.63
    1,2-diethoxyethane 4.44
    benzonitrile 1.06
    trioctyl phosphate 1.45
    1-bromopropane 1.2
    gamma-valerolactone 30.7
    n-decanol 1.41
    triethyl phosphate 2.41
    4-methyl-2-pentanol 0.57
    propionitrile 3.72
    vinylene carbonate 7.02
    1,1,2-trichlorotrifluoroethane 18.37
    DMS 3.47
    cumene 0.15
    2-octanol 1.08
    2-hexanone 1.8
    octyl acetate 1.84
    limonene 0.54
    1,2-dimethoxyethane 25.21
    ethyl orthosilicate 1.82
    tributyl phosphate 1.51
    diacetone alcohol 5.36
    N,N-dimethylaniline 1.22
    acrylonitrile 6.43
    aniline 1.92
    1,3-propanediol 18.21
    bromobenzene 0.27
    dibromomethane 1.97
    1,1,2,2-tetrachloroethane 3.29
    2-methyl-cyclohexyl acetate 1.23
    tetrabutyl urea 4.09
    diisobutyl methanol 0.47
    2-phenylethanol 1.47
    styrene 0.27
    dioctyl adipate 1.75
    dimethyl sulfate 32.28
    ethyl butyrate 2.96
    methyl lactate 16.77
    butyl lactate 4.29
    diethyl carbonate 2.59
    propanediol butyl ether 7.5
    triethyl orthoformate 2.79
    p-tert-butyltoluene 0.37
    methyl 4-tert-butylbenzoate 3.92
    morpholine 16.19
    tert-butylamine 2.24
    n-dodecanol 1.01
    dimethoxymethane 47.75
    ethylene carbonate 5.87
    cyrene 6.05
    2-ethoxyethyl acetate 4.92
    2-ethylhexyl acetate 1.26
    1,2,4-trichlorobenzene 0.63
    4-methylpyridine 3.25
    dibutyl ether 1.35
    2,6-dimethyl-4-heptanol 0.47
    DEF 14.15
    dimethyl isosorbide 10.56
    tetrachloroethylene 2.9
    eugenol 4.02
    triacetin 3.72
    span 80 4.09
    1,4-butanediol 4.89
    1,1-dichloroethane 1.33
    2-methyl-1-pentanol 0.73
    methyl formate 50.6
    2-methyl-1-butanol 1.84
    n-decane 0.23
    butyronitrile 2.66
    3,7-dimethyl-1-octanol 0.77
    1-chlorooctane 0.53
    1-chlorotetradecane 0.26
    n-nonane 0.22
    undecane 0.17
    tert-butylcyclohexane 0.04
    cyclooctane 0.16
    cyclopentanol 4.47
    tetrahydropyran 4.45
    tert-amyl methyl ether 1.85
    2,5,8-trioxanonane 16.11
    1-hexene 0.36
    2-isopropoxyethanol 5.25
    2,2,2-trifluoroethanol 19.31
    methyl butyrate 3.8

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction