Sodium Sesquicarbonate

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  • Identifiers

    CAS number
    533-96-0

    Molecular formula
    C2HNa3O6

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 79.63%
    Sour 48.41%
    Sharp 28.86%
    Pungent 20.39%
    Cheesy 20.02%
    Clean 17.83%
    Sweaty 16.82%
    Burnt 15.34%
    Milky 14.9%
    Dairy 14.04%

     

    Flavor
    Odorless 71.66%
    Sour 52.77%
    Vinegar 39.49%
    Pungent 30.93%
    Acidic 30.36%
    Sharp 29.59%
    Rancid 25.15%
    Formyl 23.34%
    Soy 22.1%
    Mousy 21.64%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    7.19 (neutral)

    Molecular weight
    189.99 g/mol

    Melting point expt.

    • Decomposes

    Flash point

    • 120.14 ˚C est.

    Solubility expt.

    • Freely soluble in water
    • Soluble in water

  • Synonyms

    • SODIUM SESQUICARBONATE
    • Magadi soda
    • Snowflake crystals
    • 533-96-0
    • Urao
    • Trisodium hydrogendicarbonate
    • Sodium carbonate (3:2)
    • Carbonic acid, sodium salt (2:3)
    • SQ 810
    • SESQUI TM
    • Y1X815621J
    • SOLVAY T 200
    • SOLVAY T-200
    • INS NO.500(III)
    • INS-500(III)
    • DTXSID6049646
    • E-500(III)
    • SODIUM MONOHYDROGENDICARBONATE
    • SQ-810
    • RefChem:887871
    • DTXCID3029605
    • 208-580-9
    • Trona
    • trisodium;hydrogen carbonate;carbonate
    • Snowfine
    • Carbicarb
    • HSDB 769
    • EINECS 208-580-9
    • tron a
    • UNII-Y1X815621J
    • CARBONIC ACID, SODIUM SALT, HYDRATE (2:3:2)
    • 72227-05-5
    • Na2CO3 NaHCO3
    • NaHCO3 Na2CO3
    • EC 208-580-9
    • SCHEMBL222993
    • sodium bicarbonate sodium carbonate
    • sodium carbonate sodium bicarbonate
    • SODIUM SESQUICARBONATE [MI]
    • SODIUM SESQUICARBONATE [FCC]
    • SODIUM-SALT OF CARBONIC ACID
    • SODIUM SESQUICARBONATE [HSDB]
    • Sodium carbonate sodium hydrogen carbonate
    • sodium hydrogen carbonate sodium carbonate
    • Sodium carbonate hydrogen carbonate (3/1/1)
    • Q2234978
    • Carbonic acid, disodium salt, mixt. with monosodium salt
    • 533-96-0

  • Applications

    Sodium Sesquicarbonate (CAS 533-96-0) is widely used as a buffering agent and pH adjuster in detergents and cleaning formulations, and as a water-softening builder that enhances surfactant performance. It also serves as a source of carbonate and bicarbonate for industrial manufacturing and chemical synthesis, and may be employed in coatings and inks for pH control. In agriculture, it can be used as a soil amendment to adjust pH and supply sodium; in cosmetic and personal care formulations it may be evaluated as a buffering agent. Its use is formulation- and region-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.38
    methanol 202.66
    isopropanol 79.81
    water 326.42
    ethyl acetate 19.49
    n-propanol 66.27
    acetone 72.05
    n-butanol 48.0
    acetonitrile 31.47
    DMF 822.93
    toluene 6.69
    isobutanol 43.08
    1,4-dioxane 106.66
    methyl acetate 38.87
    THF 128.65
    2-butanone 35.03
    n-pentanol 31.28
    sec-butanol 44.61
    n-hexane 3.77
    ethylene glycol 161.7
    NMP 248.22
    cyclohexane 3.09
    DMSO 458.07
    n-butyl acetate 13.44
    n-octanol 15.82
    chloroform 4.89
    n-propyl acetate 18.58
    acetic acid 73.72
    dichloromethane 11.14
    cyclohexanone 30.95
    propylene glycol 111.59
    isopropyl acetate 13.92
    DMAc 392.33
    2-ethoxyethanol 136.82
    isopentanol 37.46
    n-heptane 2.67
    ethyl formate 54.88
    1,2-dichloroethane 14.3
    n-hexanol 18.36
    2-methoxyethanol 273.33
    isobutyl acetate 9.88
    tetrachloromethane 1.95
    n-pentyl acetate 13.67
    transcutol 102.04
    n-heptanol 15.82
    ethylbenzene 4.54
    MIBK 17.9
    2-propoxyethanol 92.54
    tert-butanol 82.11
    MTBE 32.63
    2-butoxyethanol 58.09
    propionic acid 48.88
    o-xylene 8.82
    formic acid 168.58
    diethyl ether 28.03
    m-xylene 6.37
    p-xylene 5.33
    chlorobenzene 3.53
    dimethyl carbonate 62.4
    n-octane 1.42
    formamide 219.89
    cyclopentanone 55.18
    2-pentanone 25.48
    anisole 24.48
    cyclopentyl methyl ether 37.09
    gamma-butyrolactone 80.17
    1-methoxy-2-propanol 169.36
    pyridine 30.83
    3-pentanone 20.08
    furfural 100.21
    n-dodecane 1.45
    diethylene glycol 133.85
    diisopropyl ether 7.96
    tert-amyl alcohol 50.71
    acetylacetone 29.9
    n-hexadecane 1.52
    acetophenone 20.98
    methyl propionate 37.14
    isopentyl acetate 11.46
    trichloroethylene 10.14
    n-nonanol 14.71
    cyclohexanol 25.45
    benzyl alcohol 27.31
    2-ethylhexanol 9.8
    isooctanol 12.14
    dipropyl ether 18.11
    1,2-dichlorobenzene 3.96
    ethyl lactate 34.28
    propylene carbonate 37.12
    n-methylformamide 270.35
    2-pentanol 26.52
    n-pentane 4.34
    1-propoxy-2-propanol 52.95
    1-methoxy-2-propyl acetate 27.16
    2-(2-methoxypropoxy) propanol 63.03
    mesitylene 5.45
    ε-caprolactone 34.95
    p-cymene 4.2
    epichlorohydrin 67.62
    1,1,1-trichloroethane 4.36
    2-aminoethanol 162.38
    morpholine-4-carbaldehyde 280.51
    sulfolane 114.84
    2,2,4-trimethylpentane 2.0
    2-methyltetrahydrofuran 46.89
    n-hexyl acetate 16.0
    isooctane 1.57
    2-(2-butoxyethoxy)ethanol 69.79
    sec-butyl acetate 10.07
    tert-butyl acetate 17.06
    decalin 1.8
    glycerin 194.02
    diglyme 123.59
    acrylic acid 61.66
    isopropyl myristate 9.39
    n-butyric acid 35.18
    acetyl acetate 12.2
    di(2-ethylhexyl) phthalate 14.93
    ethyl propionate 20.14
    nitromethane 132.84
    1,2-diethoxyethane 27.94
    benzonitrile 13.76
    trioctyl phosphate 11.62
    1-bromopropane 7.43
    gamma-valerolactone 122.74
    n-decanol 12.67
    triethyl phosphate 11.9
    4-methyl-2-pentanol 16.46
    propionitrile 24.61
    vinylene carbonate 40.49
    1,1,2-trichlorotrifluoroethane 68.54
    DMS 20.28
    cumene 4.48
    2-octanol 10.73
    2-hexanone 18.61
    octyl acetate 13.59
    limonene 5.62
    1,2-dimethoxyethane 220.2
    ethyl orthosilicate 11.62
    tributyl phosphate 11.94
    diacetone alcohol 40.94
    N,N-dimethylaniline 29.04
    acrylonitrile 37.97
    aniline 20.6
    1,3-propanediol 136.87
    bromobenzene 2.11
    dibromomethane 6.34
    1,1,2,2-tetrachloroethane 11.46
    2-methyl-cyclohexyl acetate 10.95
    tetrabutyl urea 24.46
    diisobutyl methanol 8.05
    2-phenylethanol 16.4
    styrene 5.06
    dioctyl adipate 16.16
    dimethyl sulfate 101.19
    ethyl butyrate 13.84
    methyl lactate 71.39
    butyl lactate 23.17
    diethyl carbonate 12.11
    propanediol butyl ether 57.32
    triethyl orthoformate 15.31
    p-tert-butyltoluene 4.44
    methyl 4-tert-butylbenzoate 32.24
    morpholine 136.97
    tert-butylamine 36.87
    n-dodecanol 10.95
    dimethoxymethane 247.45
    ethylene carbonate 34.26
    cyrene 62.14
    2-ethoxyethyl acetate 21.88
    2-ethylhexyl acetate 8.41
    1,2,4-trichlorobenzene 5.06
    4-methylpyridine 33.32
    dibutyl ether 11.68
    2,6-dimethyl-4-heptanol 8.05
    DEF 83.6
    dimethyl isosorbide 64.65
    tetrachloroethylene 8.22
    eugenol 43.69
    triacetin 23.45
    span 80 40.95
    1,4-butanediol 70.18
    1,1-dichloroethane 7.15
    2-methyl-1-pentanol 22.82
    methyl formate 202.67
    2-methyl-1-butanol 34.38
    n-decane 1.85
    butyronitrile 23.64
    3,7-dimethyl-1-octanol 12.0
    1-chlorooctane 4.09
    1-chlorotetradecane 2.82
    n-nonane 1.78
    undecane 1.6
    tert-butylcyclohexane 1.82
    cyclooctane 1.8
    cyclopentanol 40.93
    tetrahydropyran 38.47
    tert-amyl methyl ether 27.42
    2,5,8-trioxanonane 102.08
    1-hexene 7.17
    2-isopropoxyethanol 69.29
    2,2,2-trifluoroethanol 62.12
    methyl butyrate 29.36

    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