Sodium Orotate

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  • Identifiers

    CAS number
    154-85-8

    Molecular formula
    C5H3N2NaO4

    SMILES
    C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.62%
    Burnt 29.38%
    Bitter 22.07%
    Nutty 19.24%
    Sour 18.39%
    Cooked 17.88%
    Caramellic 17.58%
    Pungent 16.74%
    Sharp 15.83%
    Roasted 14.5%

     

    Flavor
    Bitter 53.82%
    Odorless 51.78%
    Nutty 25.4%
    Very mild 23.79%
    Mild 22.59%
    Nitrile 20.73%
    Bread crust 20.65%
    Urine 20.54%
    Yeast 19.9%
    Formyl 19.88%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.42 (neutral)

    Molecular weight
    178.08 g/mol

    Flash point

    • 226.01 ˚C est.

  • Synonyms

    • Sodium orotate
    • 154-85-8
    • Orotic acid, sodium salt
    • Orotic acid, monosodium salt
    • Monosodium orotate
    • 1K54797G2Z
    • DTXSID1021083
    • CHEBI:132101
    • RefChem:184031
    • DTXCID701083
    • 205-834-0
    • sodium 2,6-dihydroxypyrimidine-4-carboxylate
    • OROTIC ACID MONOSODIUM SALT
    • Orotic acid sodium salt
    • sodium;2,4-dioxo-1H-pyrimidine-6-carboxylate
    • sodium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
    • 6-Carboxy-2,4-dihydroxypyrimidine monosodium salt
    • C5H3N2NaO4
    • 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, sodium salt (1:1)
    • Sodium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
    • Monosodium orolate
    • EINECS 205-834-0
    • CCRIS 685
    • UNII-1K54797G2Z
    • 6-Carboxy-2,4-dihydroxy- pyrimidine
    • OROTATE SODIUM
    • Orotic Acid Monosodium
    • 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, sodium salt, (1:1)
    • SCHEMBL193604
    • AKOS024319298
    • AKOS037647359
    • EBC-144049
    • AS-73418
    • DB-064059
    • NS00079488
    • EN300-7830632
    • Q27225416
    • 4-PYRIMIDINECARBOXYLIC ACID, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-, MONOSODIUM SALT
    • 4-PYRIMIDINECARBOXYLIC ACID, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-, SODIUM SALT (1:1)
    • 154-85-8

  • Applications

    Sodium Orotate is used primarily as an intermediate in pharmaceutical and biochemical synthesis, providing the orotate moiety for the preparation of pyrimidine nucleosides and related compounds; it can serve as a buffering salt and a source of orotate in laboratory formulations; it is also commonly evaluated as a reagent in biochemical research, including enzyme assays and metabolic pathway studies; in specialty coatings, inks, and cleaning formulations, it may function as a trace-metal chelating agent to improve formulation stability; in cosmetics and personal care, it may be used as a buffering or pH-adjusting ingredient in certain formulations, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.13
    methanol 11.45
    isopropanol 1.68
    water 6.79
    ethyl acetate 0.16
    n-propanol 2.1
    acetone 1.07
    n-butanol 1.44
    acetonitrile 0.84
    DMF 68.4
    toluene 0.1
    isobutanol 1.09
    1,4-dioxane 2.72
    methyl acetate 1.07
    THF 5.14
    2-butanone 1.04
    n-pentanol 1.29
    sec-butanol 1.3
    n-hexane 0.04
    ethylene glycol 8.16
    NMP 27.17
    cyclohexane 0.03
    DMSO 265.99
    n-butyl acetate 0.73
    n-octanol 0.83
    chloroform 0.21
    n-propyl acetate 0.63
    acetic acid 0.91
    dichloromethane 0.68
    cyclohexanone 0.97
    propylene glycol 3.48
    isopropyl acetate 0.13
    DMAc 53.08
    2-ethoxyethanol 10.65
    isopentanol 1.33
    n-heptane 0.06
    ethyl formate 1.58
    1,2-dichloroethane 0.69
    n-hexanol 0.83
    2-methoxyethanol 23.12
    isobutyl acetate 0.24
    tetrachloromethane 0.08
    n-pentyl acetate 0.49
    transcutol 8.03
    n-heptanol 0.87
    ethylbenzene 0.15
    MIBK 0.38
    2-propoxyethanol 6.83
    tert-butanol 2.52
    MTBE 0.56
    2-butoxyethanol 5.22
    propionic acid 0.96
    o-xylene 0.18
    formic acid 6.97
    diethyl ether 0.36
    m-xylene 0.09
    p-xylene 0.22
    chlorobenzene 0.06
    dimethyl carbonate 1.67
    n-octane 0.03
    formamide 15.36
    cyclopentanone 2.1
    2-pentanone 0.42
    anisole 1.14
    cyclopentyl methyl ether 0.64
    gamma-butyrolactone 3.27
    1-methoxy-2-propanol 9.52
    pyridine 1.27
    3-pentanone 0.35
    furfural 6.43
    n-dodecane 0.03
    diethylene glycol 11.1
    diisopropyl ether 0.08
    tert-amyl alcohol 2.03
    acetylacetone 0.5
    n-hexadecane 0.04
    acetophenone 1.25
    methyl propionate 0.64
    isopentyl acetate 0.73
    trichloroethylene 0.41
    n-nonanol 0.85
    cyclohexanol 0.53
    benzyl alcohol 1.48
    2-ethylhexanol 0.55
    isooctanol 0.67
    dipropyl ether 0.7
    1,2-dichlorobenzene 0.13
    ethyl lactate 1.78
    propylene carbonate 1.12
    n-methylformamide 18.22
    2-pentanol 0.46
    n-pentane 0.03
    1-propoxy-2-propanol 3.74
    1-methoxy-2-propyl acetate 1.26
    2-(2-methoxypropoxy) propanol 7.05
    mesitylene 0.09
    ε-caprolactone 1.19
    p-cymene 0.2
    epichlorohydrin 4.98
    1,1,1-trichloroethane 0.11
    2-aminoethanol 8.33
    morpholine-4-carbaldehyde 19.38
    sulfolane 14.05
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.28
    n-hexyl acetate 0.66
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.76
    sec-butyl acetate 0.24
    tert-butyl acetate 0.34
    decalin 0.03
    glycerin 8.97
    diglyme 15.64
    acrylic acid 1.39
    isopropyl myristate 0.43
    n-butyric acid 0.54
    acetyl acetate 0.11
    di(2-ethylhexyl) phthalate 1.07
    ethyl propionate 0.6
    nitromethane 4.88
    1,2-diethoxyethane 1.3
    benzonitrile 0.75
    trioctyl phosphate 0.82
    1-bromopropane 0.28
    gamma-valerolactone 5.63
    n-decanol 0.71
    triethyl phosphate 1.48
    4-methyl-2-pentanol 0.37
    propionitrile 1.1
    vinylene carbonate 1.18
    1,1,2-trichlorotrifluoroethane 4.68
    DMS 0.77
    cumene 0.16
    2-octanol 0.48
    2-hexanone 0.91
    octyl acetate 0.66
    limonene 0.18
    1,2-dimethoxyethane 23.41
    ethyl orthosilicate 1.23
    tributyl phosphate 0.91
    diacetone alcohol 1.95
    N,N-dimethylaniline 1.9
    acrylonitrile 2.13
    aniline 0.39
    1,3-propanediol 6.73
    bromobenzene 0.05
    dibromomethane 0.33
    1,1,2,2-tetrachloroethane 0.57
    2-methyl-cyclohexyl acetate 0.78
    tetrabutyl urea 2.33
    diisobutyl methanol 0.41
    2-phenylethanol 1.11
    styrene 0.13
    dioctyl adipate 0.94
    dimethyl sulfate 7.18
    ethyl butyrate 0.75
    methyl lactate 2.86
    butyl lactate 1.38
    diethyl carbonate 0.94
    propanediol butyl ether 4.01
    triethyl orthoformate 1.16
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 2.22
    morpholine 4.65
    tert-butylamine 0.91
    n-dodecanol 0.55
    dimethoxymethane 12.09
    ethylene carbonate 0.92
    cyrene 6.15
    2-ethoxyethyl acetate 0.79
    2-ethylhexyl acetate 0.55
    1,2,4-trichlorobenzene 0.21
    4-methylpyridine 1.15
    dibutyl ether 0.5
    2,6-dimethyl-4-heptanol 0.41
    DEF 3.36
    dimethyl isosorbide 8.52
    tetrachloroethylene 0.35
    eugenol 4.01
    triacetin 0.95
    span 80 2.46
    1,4-butanediol 4.26
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 1.13
    methyl formate 9.54
    2-methyl-1-butanol 1.26
    n-decane 0.04
    butyronitrile 0.74
    3,7-dimethyl-1-octanol 0.64
    1-chlorooctane 0.15
    1-chlorotetradecane 0.1
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 1.06
    tetrahydropyran 0.59
    tert-amyl methyl ether 0.64
    2,5,8-trioxanonane 12.88
    1-hexene 0.14
    2-isopropoxyethanol 4.09
    2,2,2-trifluoroethanol 1.43
    methyl butyrate 1.23

    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