Ammonium dihydrogen citrate

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  • Identifiers

    CAS number
    4450-94-6

    Molecular formula
    C6H11NO7

    SMILES
    C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[NH4+]

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 64.83%
    Sour 34.96%
    Sweet 32.13%
    Caramellic 24.31%
    Clean 23.68%
    Buttery 22.85%
    Winey 22.42%
    Sharp 21.43%
    Savory 20.32%
    Creamy 19.49%

     

    Flavor
    Odorless 73.4%
    Very mild 38.2%
    Sour 35.44%
    Mild 32.98%
    Bland 25.45%
    Nutty 24.69%
    Caramellic 24.08%
    Musty 24.05%
    Yeast 23.54%
    Sweet-like 21.77%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    1.56 (strong acid)

    Molecular weight
    209.15 g/mol

    Flash point

    • 182.35 ˚C est.

  • Synonyms

    • Ammonium dihydrogen citrate
    • ammonium dihydrogencitrate
    • 4450-94-6
    • monoammonium citrate
    • azanium;3-carboxy-3,5-dihydroxy-5-oxopentanoate
    • ammonium 3,4-dicarboxy-3-hydroxybutanoate
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monoammonium salt
    • AMMONIUM CITRATE, MONOBASIC
    • CUB9LW4B2O
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:1)
    • EINECS 224-694-1
    • UNII-CUB9LW4B2O
    • EBC-253277
    • CS-0245801
    • NS00082175
    • EN300-311666
    • 4450-94-6

  • Applications

    Ammonium dihydrogen citrate (CAS 4450-94-6) is the ammonium salt of citric acid used primarily as a buffering agent and acidity regulator in cosmetic and personal care formulations; as a chelating (sequestering) agent it helps stabilize products by binding trace metal ions; in household cleaning products it functions as a pH adjuster and stabilizer for formulations; in industrial manufacturing and coatings/inks it serves as a buffering and metal-complexing additive to improve process stability; in polymers/plastics it can act as a processing aid and stabilizer and as a precursor for citric-acid-derived polymer systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1721.62
    methanol 3682.91
    isopropanol 744.41
    water 1573.69
    ethyl acetate 110.71
    n-propanol 1138.67
    acetone 702.13
    n-butanol 484.12
    acetonitrile 272.86
    DMF 4345.03
    toluene 48.91
    isobutanol 465.7
    1,4-dioxane 474.95
    methyl acetate 177.94
    THF 1218.98
    2-butanone 355.74
    n-pentanol 315.33
    sec-butanol 472.71
    n-hexane 20.37
    ethylene glycol 1496.76
    NMP 1295.48
    cyclohexane 18.68
    DMSO 3205.81
    n-butyl acetate 33.75
    n-octanol 76.93
    chloroform 17.68
    n-propyl acetate 74.22
    acetic acid 249.94
    dichloromethane 58.21
    cyclohexanone 163.89
    propylene glycol 863.28
    isopropyl acetate 58.36
    DMAc 1893.66
    2-ethoxyethanol 1212.48
    isopentanol 258.91
    n-heptane 16.83
    ethyl formate 189.42
    1,2-dichloroethane 104.86
    n-hexanol 128.74
    2-methoxyethanol 2350.2
    isobutyl acetate 24.39
    tetrachloromethane 6.98
    n-pentyl acetate 33.43
    transcutol 348.46
    n-heptanol 81.98
    ethylbenzene 26.93
    MIBK 109.02
    2-propoxyethanol 513.89
    tert-butanol 596.68
    MTBE 185.08
    2-butoxyethanol 231.83
    propionic acid 220.32
    o-xylene 46.61
    formic acid 1060.01
    diethyl ether 334.0
    m-xylene 35.81
    p-xylene 22.68
    chlorobenzene 11.59
    dimethyl carbonate 228.46
    n-octane 8.27
    formamide 1789.51
    cyclopentanone 371.22
    2-pentanone 246.67
    anisole 123.84
    cyclopentyl methyl ether 282.74
    gamma-butyrolactone 434.8
    1-methoxy-2-propanol 1204.63
    pyridine 189.46
    3-pentanone 190.02
    furfural 285.17
    n-dodecane 5.08
    diethylene glycol 633.93
    diisopropyl ether 49.09
    tert-amyl alcohol 403.06
    acetylacetone 153.42
    n-hexadecane 5.12
    acetophenone 89.03
    methyl propionate 249.49
    isopentyl acetate 22.44
    trichloroethylene 52.17
    n-nonanol 72.79
    cyclohexanol 158.35
    benzyl alcohol 138.01
    2-ethylhexanol 45.45
    isooctanol 49.78
    dipropyl ether 109.73
    1,2-dichlorobenzene 10.4
    ethyl lactate 100.02
    propylene carbonate 101.63
    n-methylformamide 2101.85
    2-pentanol 230.34
    n-pentane 38.54
    1-propoxy-2-propanol 218.03
    1-methoxy-2-propyl acetate 67.27
    2-(2-methoxypropoxy) propanol 154.98
    mesitylene 21.32
    ε-caprolactone 139.81
    p-cymene 14.3
    epichlorohydrin 481.98
    1,1,1-trichloroethane 16.84
    2-aminoethanol 1897.4
    morpholine-4-carbaldehyde 936.47
    sulfolane 569.59
    2,2,4-trimethylpentane 7.08
    2-methyltetrahydrofuran 396.64
    n-hexyl acetate 44.72
    isooctane 4.82
    2-(2-butoxyethoxy)ethanol 227.97
    sec-butyl acetate 34.71
    tert-butyl acetate 62.11
    decalin 6.34
    glycerin 1045.83
    diglyme 391.37
    acrylic acid 225.3
    isopropyl myristate 23.01
    n-butyric acid 136.91
    acetyl acetate 31.3
    di(2-ethylhexyl) phthalate 23.04
    ethyl propionate 94.62
    nitromethane 553.26
    1,2-diethoxyethane 98.03
    benzonitrile 37.78
    trioctyl phosphate 25.36
    1-bromopropane 61.49
    gamma-valerolactone 482.51
    n-decanol 57.9
    triethyl phosphate 24.21
    4-methyl-2-pentanol 90.63
    propionitrile 228.38
    vinylene carbonate 95.17
    1,1,2-trichlorotrifluoroethane 213.02
    DMS 38.15
    cumene 17.03
    2-octanol 45.3
    2-hexanone 110.17
    octyl acetate 36.97
    limonene 21.23
    1,2-dimethoxyethane 975.76
    ethyl orthosilicate 24.41
    tributyl phosphate 19.18
    diacetone alcohol 196.82
    N,N-dimethylaniline 119.4
    acrylonitrile 281.58
    aniline 111.84
    1,3-propanediol 1031.07
    bromobenzene 7.43
    dibromomethane 34.59
    1,1,2,2-tetrachloroethane 49.26
    2-methyl-cyclohexyl acetate 26.71
    tetrabutyl urea 53.92
    diisobutyl methanol 26.57
    2-phenylethanol 65.85
    styrene 26.73
    dioctyl adipate 35.16
    dimethyl sulfate 327.69
    ethyl butyrate 43.51
    methyl lactate 275.75
    butyl lactate 44.23
    diethyl carbonate 26.47
    propanediol butyl ether 161.35
    triethyl orthoformate 34.6
    p-tert-butyltoluene 13.79
    methyl 4-tert-butylbenzoate 74.19
    morpholine 806.78
    tert-butylamine 260.34
    n-dodecanol 41.71
    dimethoxymethane 1701.9
    ethylene carbonate 82.65
    cyrene 239.16
    2-ethoxyethyl acetate 48.16
    2-ethylhexyl acetate 16.98
    1,2,4-trichlorobenzene 12.58
    4-methylpyridine 152.1
    dibutyl ether 44.38
    2,6-dimethyl-4-heptanol 26.57
    DEF 426.66
    dimethyl isosorbide 178.9
    tetrachloroethylene 38.68
    eugenol 98.37
    triacetin 39.13
    span 80 90.98
    1,4-butanediol 546.53
    1,1-dichloroethane 40.24
    2-methyl-1-pentanol 150.96
    methyl formate 1035.94
    2-methyl-1-butanol 281.74
    n-decane 8.63
    butyronitrile 146.46
    3,7-dimethyl-1-octanol 42.08
    1-chlorooctane 18.94
    1-chlorotetradecane 8.84
    n-nonane 8.92
    undecane 6.58
    tert-butylcyclohexane 4.86
    cyclooctane 10.71
    cyclopentanol 308.28
    tetrahydropyran 278.1
    tert-amyl methyl ether 173.85
    2,5,8-trioxanonane 295.47
    1-hexene 54.22
    2-isopropoxyethanol 451.1
    2,2,2-trifluoroethanol 176.35
    methyl butyrate 112.4

    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