Denatonium

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  • Identifiers

    CAS number
    47324-98-1

    Molecular formula
    C21H29N2O+

    SMILES
    CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C

  • Odor profile

    Fragrance
    Floral 34.48%
    Animal 32.85%
    Grapefruit 31.36%
    Citrus 29.84%
    Fruity 28.19%
    Grape 27.87%
    Fresh 25.94%
    Fatty 25.14%
    Savory 24.53%
    Dry 23.84%

     

    Flavor
    Bitter 30.07%
    Mild 26.2%
    Odorless 23.06%
    Bland 22.73%
    Green pepper 19.63%
    Heather 19.41%
    Nitrile 19.25%
    Cedarleaf 18.96%
    Broom 18.95%
    Syrup 18.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.31 (neutral)

    Molecular weight
    325.5 g/mol

    Flash point

    • 36.69 ˚C est.

  • Synonyms

    • Denatonium
    • 47324-98-1
    • UNII-4IK22DF4OU
    • 4IK22DF4OU
    • benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
    • N-Benzyl-2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethan-1-aminium
    • SPBio_002882
    • Prestwick1_000961
    • Prestwick2_000961
    • Prestwick3_000961
    • DENATONIUM [VANDF]
    • DENATONIUM [WHO-DD]
    • BSPBio_000961
    • SCHEMBL155674
    • BPBio1_001059
    • CHEMBL1738972
    • DTXSID9043770
    • SCHEMBL22662475
    • CHEBI:95255
    • GTPL12433
    • ZFQMTVNLDNXRNQ-UHFFFAOYSA-
    • NCGC00017043-03
    • SBI-0206878.P001
    • AB00444483
    • NS00006955
    • AB00444483_07
    • SR-01000944429
    • SR-01000944429-1
    • BRD-K34122555-057-06-5
    • BRD-K34122555-057-11-5
    • Q27167097
    • BENZYLDIETHYL((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM
    • [2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-diethyl-(phenylmethyl)azanium benzoat
    • BENZENEMETHANAMINIUM, N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYL
    • InChI=1/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1
    • WK3

  • Applications

    Denatonium (CAS 47324-98-1) is widely used as a highly effective bittering agent to deter accidental ingestion across multiple industries. In practice, it is added to hazardous household products such as antifreeze and windshield washer fluids, as well as solvents, paints and coatings, and other cleaners to make them unpalatable. It is also incorporated into pesticides and rodenticides to discourage consumption by children or pets. In pharmaceutical and consumer packaging contexts, it may be included in certain medicines or packaging to reduce ingestion risk. The additive is used at very low concentrations and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.75
    methanol 50.24
    isopropanol 25.33
    water 0.4
    ethyl acetate 82.64
    n-propanol 40.6
    acetone 99.43
    n-butanol 38.77
    acetonitrile 30.92
    DMF 197.4
    toluene 48.58
    isobutanol 35.35
    1,4-dioxane 150.57
    methyl acetate 78.18
    THF 152.37
    2-butanone 94.26
    n-pentanol 36.35
    sec-butanol 29.3
    n-hexane 6.15
    ethylene glycol 10.43
    NMP 171.01
    cyclohexane 10.08
    DMSO 109.32
    n-butyl acetate 82.28
    n-octanol 19.58
    chloroform 458.72
    n-propyl acetate 58.91
    acetic acid 100.02
    dichloromethane 376.13
    cyclohexanone 166.13
    propylene glycol 14.56
    isopropyl acetate 67.28
    DMAc 330.94
    2-ethoxyethanol 70.35
    isopentanol 43.12
    n-heptane 4.31
    ethyl formate 56.86
    1,2-dichloroethane 292.82
    n-hexanol 52.02
    2-methoxyethanol 84.17
    isobutyl acetate 55.6
    tetrachloromethane 42.04
    n-pentyl acetate 51.11
    transcutol 221.27
    n-heptanol 32.59
    ethylbenzene 28.34
    MIBK 65.84
    2-propoxyethanol 107.96
    tert-butanol 37.25
    MTBE 57.96
    2-butoxyethanol 73.17
    propionic acid 55.32
    o-xylene 40.58
    formic acid 38.34
    diethyl ether 67.83
    m-xylene 38.44
    p-xylene 40.68
    chlorobenzene 112.28
    dimethyl carbonate 68.74
    n-octane 2.65
    formamide 54.95
    cyclopentanone 176.07
    2-pentanone 79.02
    anisole 56.78
    cyclopentyl methyl ether 77.88
    gamma-butyrolactone 168.61
    1-methoxy-2-propanol 65.48
    pyridine 100.76
    3-pentanone 97.72
    furfural 146.28
    n-dodecane 2.01
    diethylene glycol 77.9
    diisopropyl ether 25.08
    tert-amyl alcohol 38.95
    acetylacetone 121.76
    n-hexadecane 2.34
    acetophenone 67.42
    methyl propionate 83.51
    isopentyl acetate 89.6
    trichloroethylene 471.22
    n-nonanol 22.34
    cyclohexanol 45.78
    benzyl alcohol 47.44
    2-ethylhexanol 35.81
    isooctanol 29.45
    dipropyl ether 41.21
    1,2-dichlorobenzene 120.57
    ethyl lactate 38.25
    propylene carbonate 103.83
    n-methylformamide 64.57
    2-pentanol 26.64
    n-pentane 4.48
    1-propoxy-2-propanol 69.16
    1-methoxy-2-propyl acetate 105.9
    2-(2-methoxypropoxy) propanol 69.1
    mesitylene 26.09
    ε-caprolactone 127.81
    p-cymene 25.26
    epichlorohydrin 230.5
    1,1,1-trichloroethane 188.19
    2-aminoethanol 23.8
    morpholine-4-carbaldehyde 169.32
    sulfolane 207.58
    2,2,4-trimethylpentane 5.51
    2-methyltetrahydrofuran 97.76
    n-hexyl acetate 56.8
    isooctane 3.25
    2-(2-butoxyethoxy)ethanol 87.93
    sec-butyl acetate 50.99
    tert-butyl acetate 80.37
    decalin 7.56
    glycerin 32.29
    diglyme 173.2
    acrylic acid 58.35
    isopropyl myristate 26.75
    n-butyric acid 80.51
    acetyl acetate 84.12
    di(2-ethylhexyl) phthalate 36.71
    ethyl propionate 58.32
    nitromethane 145.28
    1,2-diethoxyethane 81.46
    benzonitrile 50.48
    trioctyl phosphate 24.76
    1-bromopropane 99.04
    gamma-valerolactone 200.01
    n-decanol 17.13
    triethyl phosphate 43.57
    4-methyl-2-pentanol 25.13
    propionitrile 40.86
    vinylene carbonate 106.74
    1,1,2-trichlorotrifluoroethane 183.26
    DMS 88.82
    cumene 24.92
    2-octanol 18.07
    2-hexanone 62.3
    octyl acetate 34.64
    limonene 34.07
    1,2-dimethoxyethane 120.91
    ethyl orthosilicate 42.9
    tributyl phosphate 30.65
    diacetone alcohol 73.58
    N,N-dimethylaniline 49.03
    acrylonitrile 50.67
    aniline 57.97
    1,3-propanediol 39.16
    bromobenzene 111.94
    dibromomethane 227.99
    1,1,2,2-tetrachloroethane 409.28
    2-methyl-cyclohexyl acetate 63.57
    tetrabutyl urea 42.99
    diisobutyl methanol 23.31
    2-phenylethanol 59.11
    styrene 33.7
    dioctyl adipate 43.58
    dimethyl sulfate 127.37
    ethyl butyrate 63.9
    methyl lactate 52.43
    butyl lactate 50.53
    diethyl carbonate 51.33
    propanediol butyl ether 42.82
    triethyl orthoformate 55.86
    p-tert-butyltoluene 23.89
    methyl 4-tert-butylbenzoate 80.34
    morpholine 137.74
    tert-butylamine 23.91
    n-dodecanol 13.57
    dimethoxymethane 130.44
    ethylene carbonate 94.27
    cyrene 72.16
    2-ethoxyethyl acetate 84.14
    2-ethylhexyl acetate 74.42
    1,2,4-trichlorobenzene 132.14
    4-methylpyridine 85.56
    dibutyl ether 28.45
    2,6-dimethyl-4-heptanol 23.31
    DEF 109.65
    dimethyl isosorbide 129.47
    tetrachloroethylene 260.34
    eugenol 76.2
    triacetin 73.75
    span 80 53.8
    1,4-butanediol 22.53
    1,1-dichloroethane 186.69
    2-methyl-1-pentanol 42.26
    methyl formate 64.99
    2-methyl-1-butanol 41.42
    n-decane 3.57
    butyronitrile 39.74
    3,7-dimethyl-1-octanol 26.82
    1-chlorooctane 18.61
    1-chlorotetradecane 7.99
    n-nonane 3.1
    undecane 2.58
    tert-butylcyclohexane 6.75
    cyclooctane 3.74
    cyclopentanol 42.65
    tetrahydropyran 114.42
    tert-amyl methyl ether 53.5
    2,5,8-trioxanonane 118.14
    1-hexene 23.53
    2-isopropoxyethanol 59.1
    2,2,2-trifluoroethanol 59.72
    methyl butyrate 74.15

    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