Alitame

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  • Identifiers

    CAS number
    99016-42-9

    Molecular formula
    C28H60N6O13S2

    SMILES
    C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N.C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N.O.O.O.O.O

  • Odor profile

    Fragrance
    Odorless 73.64%
    Savory 37.69%
    Cooling 30.36%
    Meaty 30.19%
    Roasted 20.26%
    Cooked 19.33%
    Milky 16.59%
    Mint 16.18%
    Bitter 14.1%
    Beefy 13.21%

     

    Flavor
    Bitter 53.17%
    Odorless 47.94%
    Bland 31.3%
    Mild 24.6%
    Sweet-like 21.35%
    Yeast 19.34%
    Nitrile 19.02%
    Cedarleaf 18.79%
    Very mild 18.74%
    Taco 18.57%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.68 (weak acid)

    Molecular weight
    752.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    636°C

    Melting point expt.

    • 100 °C

    Flash point

    • 241.62 ˚C est.

    Solubility expt.

    • In water, approximately 130 g/L at pH 5.0 and room temperature; solubility increases at higher and lower pH, and higher temperature

  • Synonyms

    • Alitame hydrate
    • Alitame [USAN]
    • 99016-42-9
    • 6KI9M51JOG
    • CP-54,802
    • Ins-956(alitame)
    • E-956(alitame)
    • Ins no.956(alitame)
    • bis(N4-((R)-1-oxo-1-((2,2,4,4-tetramethylthietan-3-yl)amino)propan-2-yl)-D-asparagine) pentahydrate
    • CP-54802
    • UNII-6KI9M51JOG
    • HSDB 7825
    • (3S)-Amino-N-((1R)-1-((2,2,4,4-tetramethyl-3-thietanyl)carbamoyl)ethyl)succinamic acid hydrate (2:5)
    • (3S)-Amino-N-[(1R)-1-[(2,2,4,4-tetramethyl-3-thietanyl)carbamoyl]ethyl]succinamic acid hydrate (2:5)
    • ALITAME [HSDB]
    • ALITAME [FCC]
    • ALITAME [USP-RS]
    • DTXSID1035028
    • NUFKRGBSZPCGQB-FLBSXDLDSA-N
    • AKOS015994748
    • KS-1290
    • D-Alaninamide, L-.alpha.-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5)
    • Q27895912
    • D-Alaninamide, L-alpha-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5)
    • D-Alaninamide, L-apha-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)- hydrate (2:5)
    • (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid;pentahydrate
    • (3S)-Amino-N-((1R)-1-((2,2,4,4-tetramethyl-3-thietanyl)carbamoy)ethyl)succinamic acid hydrate (2:5)

  • Applications

    Alitame (CAS 99016-42-9) is a non-caloric high-intensity sweetener used primarily in food processing and beverage formulations to replace sugar; it is also considered as an ingredient in flavor formulations and confectionery to modulate sweetness. In pharmaceuticals, alitame may be employed for taste masking of bitter active ingredients in oral dosage forms. In cosmetics and personal care, it may be evaluated for sweetening in products such as dentifrices or mouthwashes to improve palatability. In household consumer products, alitame can appear as a sweetening component in cleaning and personal-care formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.62
    methanol 13.62
    isopropanol 3.62
    water 15.63
    ethyl acetate 1.83
    n-propanol 3.82
    acetone 4.18
    n-butanol 2.5
    acetonitrile 3.34
    DMF 31.8
    toluene 0.49
    isobutanol 2.25
    1,4-dioxane 6.93
    methyl acetate 1.75
    THF 20.43
    2-butanone 2.59
    n-pentanol 3.13
    sec-butanol 2.06
    n-hexane 0.15
    ethylene glycol 14.42
    NMP 55.59
    cyclohexane 0.14
    DMSO 56.56
    n-butyl acetate 2.19
    n-octanol 1.42
    chloroform 3.58
    n-propyl acetate 2.45
    acetic acid 30.58
    dichloromethane 3.67
    cyclohexanone 6.24
    propylene glycol 16.71
    isopropyl acetate 1.73
    DMAc 39.92
    2-ethoxyethanol 23.34
    isopentanol 2.2
    n-heptane 0.18
    ethyl formate 4.63
    1,2-dichloroethane 1.84
    n-hexanol 3.07
    2-methoxyethanol 32.48
    isobutyl acetate 1.89
    tetrachloromethane 0.69
    n-pentyl acetate 1.8
    transcutol 14.6
    n-heptanol 2.61
    ethylbenzene 0.58
    MIBK 2.47
    2-propoxyethanol 22.46
    tert-butanol 3.98
    MTBE 1.02
    2-butoxyethanol 12.76
    propionic acid 5.31
    o-xylene 0.55
    formic acid 76.02
    diethyl ether 1.05
    m-xylene 0.59
    p-xylene 1.07
    chlorobenzene 0.71
    dimethyl carbonate 2.72
    n-octane 0.14
    formamide 48.8
    cyclopentanone 14.28
    2-pentanone 2.38
    anisole 1.87
    cyclopentyl methyl ether 3.45
    gamma-butyrolactone 20.44
    1-methoxy-2-propanol 20.01
    pyridine 4.23
    3-pentanone 1.47
    furfural 24.4
    n-dodecane 0.08
    diethylene glycol 35.16
    diisopropyl ether 0.44
    tert-amyl alcohol 2.43
    acetylacetone 5.27
    n-hexadecane 0.08
    acetophenone 4.12
    methyl propionate 2.32
    isopentyl acetate 2.31
    trichloroethylene 4.36
    n-nonanol 1.44
    cyclohexanol 1.97
    benzyl alcohol 4.39
    2-ethylhexanol 1.53
    isooctanol 1.96
    dipropyl ether 1.43
    1,2-dichlorobenzene 0.97
    ethyl lactate 6.35
    propylene carbonate 11.26
    n-methylformamide 16.5
    2-pentanol 1.39
    n-pentane 0.1
    1-propoxy-2-propanol 10.8
    1-methoxy-2-propyl acetate 5.79
    2-(2-methoxypropoxy) propanol 8.68
    mesitylene 0.43
    ε-caprolactone 7.86
    p-cymene 0.71
    epichlorohydrin 13.94
    1,1,1-trichloroethane 1.26
    2-aminoethanol 18.64
    morpholine-4-carbaldehyde 43.3
    sulfolane 43.49
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 5.42
    n-hexyl acetate 1.78
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 11.18
    sec-butyl acetate 1.51
    tert-butyl acetate 2.26
    decalin 0.11
    glycerin 40.61
    diglyme 15.16
    acrylic acid 8.44
    isopropyl myristate 0.73
    n-butyric acid 5.92
    acetyl acetate 2.16
    di(2-ethylhexyl) phthalate 2.21
    ethyl propionate 2.09
    nitromethane 24.05
    1,2-diethoxyethane 2.21
    benzonitrile 2.75
    trioctyl phosphate 1.57
    1-bromopropane 0.82
    gamma-valerolactone 36.98
    n-decanol 1.05
    triethyl phosphate 2.37
    4-methyl-2-pentanol 1.29
    propionitrile 1.63
    vinylene carbonate 8.29
    1,1,2-trichlorotrifluoroethane 31.13
    DMS 2.06
    cumene 0.62
    2-octanol 1.37
    2-hexanone 2.8
    octyl acetate 1.18
    limonene 0.69
    1,2-dimethoxyethane 17.17
    ethyl orthosilicate 2.07
    tributyl phosphate 1.41
    diacetone alcohol 9.7
    N,N-dimethylaniline 2.35
    acrylonitrile 2.98
    aniline 1.47
    1,3-propanediol 15.19
    bromobenzene 0.6
    dibromomethane 2.06
    1,1,2,2-tetrachloroethane 4.05
    2-methyl-cyclohexyl acetate 2.96
    tetrabutyl urea 2.72
    diisobutyl methanol 1.08
    2-phenylethanol 4.77
    styrene 0.5
    dioctyl adipate 1.48
    dimethyl sulfate 8.87
    ethyl butyrate 2.23
    methyl lactate 8.61
    butyl lactate 4.5
    diethyl carbonate 1.77
    propanediol butyl ether 12.64
    triethyl orthoformate 2.45
    p-tert-butyltoluene 0.66
    methyl 4-tert-butylbenzoate 5.45
    morpholine 11.51
    tert-butylamine 1.2
    n-dodecanol 0.75
    dimethoxymethane 11.77
    ethylene carbonate 5.65
    cyrene 29.82
    2-ethoxyethyl acetate 3.11
    2-ethylhexyl acetate 1.65
    1,2,4-trichlorobenzene 1.5
    4-methylpyridine 3.2
    dibutyl ether 0.69
    2,6-dimethyl-4-heptanol 1.08
    DEF 5.06
    dimethyl isosorbide 20.45
    tetrachloroethylene 2.8
    eugenol 9.16
    triacetin 3.45
    span 80 8.01
    1,4-butanediol 10.58
    1,1-dichloroethane 1.27
    2-methyl-1-pentanol 2.43
    methyl formate 13.15
    2-methyl-1-butanol 1.82
    n-decane 0.14
    butyronitrile 2.07
    3,7-dimethyl-1-octanol 1.19
    1-chlorooctane 0.42
    1-chlorotetradecane 0.18
    n-nonane 0.14
    undecane 0.1
    tert-butylcyclohexane 0.11
    cyclooctane 0.09
    cyclopentanol 5.01
    tetrahydropyran 2.76
    tert-amyl methyl ether 1.12
    2,5,8-trioxanonane 12.3
    1-hexene 0.51
    2-isopropoxyethanol 12.14
    2,2,2-trifluoroethanol 18.09
    methyl butyrate 3.43

    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