Pyridoxal 5'-phosphate

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  • Identifiers

    CAS number
    54-47-7

    Molecular formula
    C8H10NO6P

    SMILES
    CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 79.72%
    Milky 18.69%
    Savory 17.57%
    Bitter 16.94%
    Roasted 16.05%
    Clean 15.77%
    Burnt 15.58%
    Cooked 15.27%
    Phenolic 13.73%
    Meaty 13.67%

     

    Flavor
    Odorless 60.5%
    Mild 37.87%
    Very mild 30.0%
    Bitter 28.94%
    Sour 28.66%
    Bland 26.46%
    Nutty 25.55%
    Faint 22.32%
    Yeast 21.91%
    Sweet-like 20.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    8.63 (weak base)

    Molecular weight
    247.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    708°C

    Melting point expt.

    • 255 °C

    Flash point

    • 279.19 ˚C est.

    Solubility expt.

    • Appreciable
    • 28 mg/mL

  • Synonyms

    • pyridoxal phosphate
    • 54-47-7
    • Codecarboxylase
    • pyridoxal 5-phosphate
    • pyridoxal 5'-phosphate
    • Pyromijin
    • Vitazechs
    • (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
    • Pyridoxal P
    • Pyridoxyl phosphate
    • Pidopidon
    • Biosechs
    • Hairoxal
    • Himitan
    • Pyridoxal-5'-phosphate
    • Hiadelon
    • Pydoxal
    • Phosphopyridoxal
    • Sechvitan
    • Piodel
    • Apolon B6
    • pyridoxal-P
    • Vitahexin P
    • Hexermin P
    • Phosphopyridoxal coenzyme
    • Coenzyme B6
    • Pyridoxal monophosphate
    • Pyridoxaldehyde phosphate
    • Apolon B(sub 6)
    • pyridoxal-5P
    • Pyridoxal 5-monophosphoric acid ester
    • Pyridoxal phosphate anhydrous
    • Pyridoxal 5 Phosphate
    • 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde
    • 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-
    • NSC-82388
    • F06SGE49M6
    • DTXSID4048351
    • 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde
    • 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate
    • 4-pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-
    • CHEBI:18405
    • 3-Hydroxy-2-methyl-5-([phosphonooxy]methyl)-4-pyridinecarboxaldehyde
    • Phosphate, Pyridoxal
    • Hipyridoxin
    • RefChem:930361
    • DTXCID5028326
    • 200-208-3
    • 5V5IOJ8338
    • Pyridoxal 5-phosphate monohydrate
    • Pyridoxal phosphate monohydrate
    • PYRIDOXAL-5-PHOSPHATE
    • Pal-P
    • 853645-22-4
    • HI-Pyridoxin
    • Phosphoridoxal coenzyme
    • PLP
    • Pyridoxal 5'-phosphate hydrate
    • Pyridoxal 5'-(dihydrogen phosphate)
    • Vitamin B6 phosphate
    • Vitahexin-P
    • Hexermin-P
    • Pyridoxal phosphate [JAN]
    • MFCD00006333
    • Pyridoxal 5/'-phosphate (hydrate)
    • Pyridoxal, 5-(dihydrogen phosphate)
    • 2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine-5-calcium phosphate
    • CHEMBL82202
    • pyridoxal-phosphate
    • [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid
    • 4-Pyridinecarboxaldehyde,3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-
    • NSC82388
    • MC-1
    • (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate
    • (4-Formyl-5-hydroxy-6-methyl(3-pyridyl))methyl dihydrogen phosphate
    • 2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine-5-calcium phosphate trihydrate
    • Pyridoxalphosphate
    • Pyridoxal 5'-phosphate 5
    • Pyridoxal 5'-phosphate;Pyridoxyl phosphate
    • Pyridoxal-5-Phosphate Hydrate
    • Sechvitan, Vitahexin P
    • NCGC00166300-01
    • Pyridoxal-5-monophosphate
    • EINECS 200-208-3
    • NSC 82388
    • Pyridoxal phosphate (6CI)
    • UNII-F06SGE49M6
    • Vitamin B6 phosphate (ester)
    • Pyridoxal, 5-(dihydrogenphosphate)
    • SRI 2392
    • P-5'-P
    • Pridoxal-5-Phosphate
    • Pyridoxal 5 inverted exclamation marka-phosphate hydrate
    • pyridoxal 5''-phosphate
    • P5P
    • Pyridoxal, 5-(dihydrogen phosphate) (8CI)
    • bmse000111
    • Pyridoxal 5'-phosphate monohydrate, vitamin B6
    • pyridoxal-5-phosphoric acid
    • SCHEMBL23158
    • Pyridoxal phosphate (Standard)
    • Pyridoxal-5'-phosphate hydrate
    • GTPL5249
    • orb1304040
    • SGCUT00188
    • SCHEMBL29362986
    • HY-B1744R
    • Pyridoxal 5'-phosphate anhydrous
    • 2-Methyl-3-hydroxy-4-formyl-5-pyridylmethylphosphoric acid
    • EX-A980
    • HMS5084C08
    • HMS5085O06
    • 4-Formyl-5-hydroxy-6-methyl-pyridin-3-yl)methoxyphosphonic acid
    • HY-B1744
    • MSK10371
    • PYRIDOXAL 5-PHOSPHATE [MI]
    • Pyridoxal phosphate treated .beta.-lactoglobulin from bovine whey
    • to_000077
    • WZB81816
    • BDBM50118216
    • EBC-26309
    • PYRIDOXAL PHOSPHATE [WHO-DD]
    • s5311
    • SBB065295
    • STL185213
    • pyridoxal 5''-(dihydrogen phosphate)
    • AKOS015891654
    • 54-47-7

  • Applications

    Pyridoxal 5'-phosphate (CAS 54-47-7) is the active form of vitamin B6 that serves as a coenzyme for PLP-dependent enzymes, enabling key biocatalytic processes in industrial enzyme systems. In biocatalysis and pharmaceutical manufacturing, it supports enzymatic synthesis of amino acids and amino acid–derived intermediates, including routes to active pharmaceutical ingredients via transaminases and related transformations. It may be considered as a nutritional supplement in animal feeds or nutraceutical formulations where regulations permit. In research and development, it functions as a biochemical reagent for enzymology studies, mechanism investigations, and assay development involving PLP-dependent reactions. Overall, applications center on enzyme-assisted synthesis and biocatalysis, with use governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.15
    methanol 0.54
    isopropanol 0.11
    water 3.49
    ethyl acetate 0.05
    n-propanol 0.12
    acetone 0.07
    n-butanol 0.12
    acetonitrile 0.02
    DMF 1.68
    toluene 0.02
    isobutanol 0.08
    1,4-dioxane 0.09
    methyl acetate 0.06
    THF 0.45
    2-butanone 0.11
    n-pentanol 0.06
    sec-butanol 0.16
    n-hexane 0.01
    ethylene glycol 0.87
    NMP 8.29
    cyclohexane 0.02
    DMSO 10.14
    n-butyl acetate 0.15
    n-octanol 0.09
    chloroform 0.02
    n-propyl acetate 0.04
    acetic acid 0.28
    dichloromethane 0.03
    cyclohexanone 0.23
    propylene glycol 0.51
    isopropyl acetate 0.06
    DMAc 4.72
    2-ethoxyethanol 0.87
    isopentanol 0.14
    n-heptane 0.03
    ethyl formate 0.12
    1,2-dichloroethane 0.03
    n-hexanol 0.19
    2-methoxyethanol 2.46
    isobutyl acetate 0.01
    tetrachloromethane 0.04
    n-pentyl acetate 0.1
    transcutol 0.92
    n-heptanol 0.21
    ethylbenzene 0.02
    MIBK 0.11
    2-propoxyethanol 1.34
    tert-butanol 0.34
    MTBE 0.07
    2-butoxyethanol 0.82
    propionic acid 0.19
    o-xylene 0.06
    formic acid 3.33
    diethyl ether 0.05
    m-xylene 0.03
    p-xylene 0.03
    chlorobenzene 0.01
    dimethyl carbonate 0.2
    n-octane 0.01
    formamide 3.92
    cyclopentanone 0.49
    2-pentanone 0.1
    anisole 0.06
    cyclopentyl methyl ether 0.18
    gamma-butyrolactone 0.65
    1-methoxy-2-propanol 1.36
    pyridine 0.1
    3-pentanone 0.11
    furfural 1.23
    n-dodecane 0.01
    diethylene glycol 2.66
    diisopropyl ether 0.03
    tert-amyl alcohol 0.48
    acetylacetone 0.17
    n-hexadecane 0.01
    acetophenone 0.15
    methyl propionate 0.11
    isopentyl acetate 0.15
    trichloroethylene 0.04
    n-nonanol 0.11
    cyclohexanol 0.15
    benzyl alcohol 0.09
    2-ethylhexanol 0.14
    isooctanol 0.15
    dipropyl ether 0.13
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.28
    propylene carbonate 0.29
    n-methylformamide 0.89
    2-pentanol 0.1
    n-pentane 0.01
    1-propoxy-2-propanol 0.85
    1-methoxy-2-propyl acetate 0.33
    2-(2-methoxypropoxy) propanol 1.17
    mesitylene 0.04
    ε-caprolactone 0.27
    p-cymene 0.07
    epichlorohydrin 0.24
    1,1,1-trichloroethane 0.02
    2-aminoethanol 0.86
    morpholine-4-carbaldehyde 1.99
    sulfolane 5.07
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.18
    n-hexyl acetate 0.11
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.96
    sec-butyl acetate 0.03
    tert-butyl acetate 0.16
    decalin 0.01
    glycerin 3.21
    diglyme 1.86
    acrylic acid 0.29
    isopropyl myristate 0.07
    n-butyric acid 0.18
    acetyl acetate 0.05
    di(2-ethylhexyl) phthalate 0.19
    ethyl propionate 0.08
    nitromethane 0.42
    1,2-diethoxyethane 0.09
    benzonitrile 0.05
    trioctyl phosphate 0.16
    1-bromopropane 0.02
    gamma-valerolactone 0.91
    n-decanol 0.08
    triethyl phosphate 0.3
    4-methyl-2-pentanol 0.08
    propionitrile 0.04
    vinylene carbonate 0.18
    1,1,2-trichlorotrifluoroethane 1.46
    DMS 0.12
    cumene 0.02
    2-octanol 0.11
    2-hexanone 0.07
    octyl acetate 0.09
    limonene 0.09
    1,2-dimethoxyethane 0.98
    ethyl orthosilicate 0.25
    tributyl phosphate 0.16
    diacetone alcohol 0.88
    N,N-dimethylaniline 0.13
    acrylonitrile 0.06
    aniline 0.07
    1,3-propanediol 0.91
    bromobenzene 0.01
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.08
    2-methyl-cyclohexyl acetate 0.18
    tetrabutyl urea 0.37
    diisobutyl methanol 0.13
    2-phenylethanol 0.18
    styrene 0.01
    dioctyl adipate 0.11
    dimethyl sulfate 1.17
    ethyl butyrate 0.17
    methyl lactate 0.82
    butyl lactate 0.36
    diethyl carbonate 0.15
    propanediol butyl ether 0.63
    triethyl orthoformate 0.24
    p-tert-butyltoluene 0.08
    methyl 4-tert-butylbenzoate 0.73
    morpholine 0.2
    tert-butylamine 0.13
    n-dodecanol 0.05
    dimethoxymethane 0.7
    ethylene carbonate 0.12
    cyrene 1.7
    2-ethoxyethyl acetate 0.15
    2-ethylhexyl acetate 0.12
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.08
    dibutyl ether 0.05
    2,6-dimethyl-4-heptanol 0.13
    DEF 0.45
    dimethyl isosorbide 2.14
    tetrachloroethylene 0.1
    eugenol 0.74
    triacetin 0.21
    span 80 0.52
    1,4-butanediol 0.27
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.08
    methyl formate 0.43
    2-methyl-1-butanol 0.14
    n-decane 0.01
    butyronitrile 0.03
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.22
    tetrahydropyran 0.06
    tert-amyl methyl ether 0.16
    2,5,8-trioxanonane 1.73
    1-hexene 0.02
    2-isopropoxyethanol 0.31
    2,2,2-trifluoroethanol 0.66
    methyl butyrate 0.12

    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