Bicarbonate Ion

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  • Identifiers

    CAS number
    71-52-3

    Molecular formula
    CHO3-

    SMILES
    C(=O)(O)[O-]

  • Odor profile

    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%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    61.017 g/mol

    Flash point est.
    120.14 ˚C

  • Synonyms

    • Hydrogen carbonate
    • Bicarbonate ion
    • 71-52-3
    • Carbonate, hydrogen
    • Monohydrogen carbonate
    • Hydrogen carbonate ion
    • Bicarbonate ions
    • Carbonate (HCO31-)
    • Carbonate ion (HCO31-)
    • Bicarbonate (HCO3-)
    • Bicarbonate ion (HCO31-)
    • Hydrogen carbonate (HCO3-)
    • bicarbonate
    • Hydrogencarbonate
    • HCO3-
    • Acid carbonate
    • UNII-HN1ZRA3Q20
    • HN1ZRA3Q20
    • hydrogencarbonate(1-)
    • HCO3
    • hydrogentrioxocarbonate(IV)
    • hydrogentrioxocarbonate(1-)
    • hydroxidodioxidocarbonate(1-)
    • DTXSID2049921
    • hydrogen(trioxidocarbonate)(1-)
    • CHEBI:17544
    • HCO3(-)
    • CO3-2
    • CO32-
    • BICARBONATE (MART.)
    • BICARBONATE [MART.]
    • Bicarbonates
    • (CO2(OH))(-)
    • [CO2(OH)](-)
    • HYDROXYFORMATE
    • Carbonate, hydrogen(8CI,9CI)
    • BCT
    • Bicarbonate anion
    • hydrogen-carbonate
    • Hydrogen carbonate anion
    • 524 - Carbonated water
    • Carbonic acid, ion(1-)
    • BICARBONATE [VANDF]
    • 59 - Bottled Mineral Water
    • 102 - Bottled Mineral Water
    • CHEMBL363707
    • DTXCID8029818
    • BDBM26986
    • STL483238
    • DB-230528
    • NS00007901
    • C00288
    • Q409202
    • Q27110034

  • 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