Aspartame Acesulfame

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  • Identifiers

    CAS number
    106372-55-8

    Molecular formula
    C18H23N3O9S

    SMILES
    CC1=CC(=O)NS(=O)(=O)O1.COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.09%
    Burnt 26.61%
    Roasted 21.48%
    Nutty 20.08%
    Caramellic 18.43%
    Cooked 18.28%
    Sweet 17.94%
    Savory 15.58%
    Pungent 15.33%
    Bitter 15.12%

     

    Flavor
    Bitter 47.44%
    Odorless 23.17%
    Nutty 20.45%
    Taco 20.09%
    Nitrile 19.91%
    Cotton candy 19.62%
    Roasted peanuts 19.49%
    Bread crust 19.44%
    Formyl 19.43%
    Shrimp 19.33%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.27 (neutral)

    Molecular weight
    457.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    371°C

    Flash point

    • 164.11 ˚C est.

    Solubility expt.

    • Sparingly soluble water; slightly soluble in ethanol

  • Synonyms

    • Aspartame Acesulfame
    • Twinsweet
    • Aspartame acesulfame [NF]
    • UNII-IFE6C6BS24
    • IFE6C6BS24
    • TWINSWEET LA
    • APM-ACE
    • Aspartame-acesulfame salt
    • Aspartame acesulfame (NF)
    • INS NO.962
    • DTXSID30909991
    • INS-962
    • SALT OF ASPARTAME-ACESULFAME
    • ASPARTAME ACESULFAME [MART.]
    • ASPARTAME ACESULFAME [USP-RS]
    • ASPARTAME-ACESULFAME SALT [FCC]
    • E-962
    • ASPARTAME ACESULFAME (MART.)
    • ASPARTAME ACESULFAME (USP-RS)
    • (2-CARBOXY--(N-(B-METHOXYCARBONYL-2 PHENYL)ETHYLCARBAMOYL)) ETHANAMINIUM 6-METHYL-4-OXO-1,2,3-OXATHIAZIN-3-IDE-2,2-DIOXIDE
    • L-PHENYLALANINE, L-.ALPHA.-ASPARTYL-2-METHYL ESTER COMPOUND WITH 6-METHYL-1,2,3-OXATHIAZIN-4(3H)-ONE 2,2-DIOXIDE (1:1)
    • L-Phenylalanine, L-alpha-aspartyl-2-methyl ester compound with 6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide (1:1)
    • RefChem:114686
    • DTXCID401341346
    • Aspartame-acesulfameAspartame-acesulfame salt
    • 106372-55-8
    • Acesulfame Aspartame Salt
    • (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;6-methyl-2,2-dioxooxathiazin-4-one
    • 6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide (S)-3-amino-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoate
    • Acesulfame Aspartame Salt; Aspartame Acesulfame
    • Aspartame acesulfame salt
    • SCHEMBL875414
    • orb1698311
    • GLXC-23836
    • AKOS040750602
    • ASPARTAME ACESULFAME (200 MG)
    • DA-50746
    • HY-118347
    • CS-0065729
    • D08862
    • Q409847
    • (2-Carboxy-beta-(N-b-methoxycarbonyl-2-phenyl)ethylcarbamoyl))ethanaminium 6-methyl-4-oxo-1,2,3-oxathiazin-3-ide-2,2-dioxide
    • (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate;6-methyl-2,2-dioxooxathiazin-3-ium-4-one
    • Methyl L-alpha-aspartyl-L-phenylalaninate--6-methyl-2H-1,2lambda~6~,3-oxathiazine-2,2,4(3H)-trione (1/1)
    • 106372-55-8

  • Applications

    Aspartame Acesulfame is a synthetic high-intensity sweetener blend used to replace sugar in a range of food and pharmaceutical formulations. In practice, its applications include beverages (soft drinks and functional beverages), dairy products and dairy-based desserts, confectionery and bakery products, diet or formulated foods with high sweetness requirements, and pharmaceutical oral dosage forms such as syrups and lozenges to improve sweetness and mask bitterness. CAS 106372-55-8.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.61
    methanol 4.1
    isopropanol 1.35
    water 1.13
    ethyl acetate 7.14
    n-propanol 1.52
    acetone 16.7
    n-butanol 1.31
    acetonitrile 6.53
    DMF 58.61
    toluene 0.69
    isobutanol 0.86
    1,4-dioxane 5.96
    methyl acetate 8.0
    THF 19.62
    2-butanone 8.75
    n-pentanol 0.79
    sec-butanol 1.11
    n-hexane 0.04
    ethylene glycol 3.29
    NMP 91.49
    cyclohexane 0.03
    DMSO 67.78
    n-butyl acetate 3.88
    n-octanol 0.71
    chloroform 1.0
    n-propyl acetate 4.62
    acetic acid 9.65
    dichloromethane 1.84
    cyclohexanone 10.23
    propylene glycol 3.12
    isopropyl acetate 4.16
    DMAc 49.22
    2-ethoxyethanol 8.03
    isopentanol 1.05
    n-heptane 0.05
    ethyl formate 8.88
    1,2-dichloroethane 1.75
    n-hexanol 0.77
    2-methoxyethanol 21.78
    isobutyl acetate 1.93
    tetrachloromethane 0.11
    n-pentyl acetate 2.24
    transcutol 17.9
    n-heptanol 0.57
    ethylbenzene 0.35
    MIBK 4.17
    2-propoxyethanol 10.05
    tert-butanol 1.48
    MTBE 0.9
    2-butoxyethanol 4.1
    propionic acid 4.4
    o-xylene 0.6
    formic acid 11.13
    diethyl ether 1.38
    m-xylene 0.67
    p-xylene 0.49
    chlorobenzene 1.18
    dimethyl carbonate 9.95
    n-octane 0.03
    formamide 23.75
    cyclopentanone 26.64
    2-pentanone 7.87
    anisole 3.74
    cyclopentyl methyl ether 3.97
    gamma-butyrolactone 41.19
    1-methoxy-2-propanol 15.15
    pyridine 6.32
    3-pentanone 4.67
    furfural 56.68
    n-dodecane 0.04
    diethylene glycol 14.98
    diisopropyl ether 0.39
    tert-amyl alcohol 1.21
    acetylacetone 24.16
    n-hexadecane 0.05
    acetophenone 6.77
    methyl propionate 8.69
    isopentyl acetate 2.98
    trichloroethylene 4.2
    n-nonanol 0.73
    cyclohexanol 1.02
    benzyl alcohol 3.03
    2-ethylhexanol 0.62
    isooctanol 0.48
    dipropyl ether 1.27
    1,2-dichlorobenzene 1.43
    ethyl lactate 6.58
    propylene carbonate 21.02
    n-methylformamide 20.46
    2-pentanol 0.82
    n-pentane 0.04
    1-propoxy-2-propanol 6.48
    1-methoxy-2-propyl acetate 10.75
    2-(2-methoxypropoxy) propanol 9.72
    mesitylene 0.4
    ε-caprolactone 11.97
    p-cymene 0.48
    epichlorohydrin 21.19
    1,1,1-trichloroethane 0.98
    2-aminoethanol 3.36
    morpholine-4-carbaldehyde 56.68
    sulfolane 69.33
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 6.41
    n-hexyl acetate 2.86
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 8.67
    sec-butyl acetate 2.5
    tert-butyl acetate 4.72
    decalin 0.05
    glycerin 11.71
    diglyme 16.76
    acrylic acid 6.74
    isopropyl myristate 1.45
    n-butyric acid 5.05
    acetyl acetate 7.49
    di(2-ethylhexyl) phthalate 2.67
    ethyl propionate 5.48
    nitromethane 50.6
    1,2-diethoxyethane 3.54
    benzonitrile 3.88
    trioctyl phosphate 1.55
    1-bromopropane 0.55
    gamma-valerolactone 53.46
    n-decanol 0.61
    triethyl phosphate 3.32
    4-methyl-2-pentanol 0.57
    propionitrile 2.63
    vinylene carbonate 18.39
    1,1,2-trichlorotrifluoroethane 18.87
    DMS 6.67
    cumene 0.32
    2-octanol 0.44
    2-hexanone 4.36
    octyl acetate 1.97
    limonene 0.66
    1,2-dimethoxyethane 15.84
    ethyl orthosilicate 2.23
    tributyl phosphate 2.39
    diacetone alcohol 10.73
    N,N-dimethylaniline 2.51
    acrylonitrile 5.94
    aniline 2.66
    1,3-propanediol 5.12
    bromobenzene 0.77
    dibromomethane 0.76
    1,1,2,2-tetrachloroethane 2.62
    2-methyl-cyclohexyl acetate 3.48
    tetrabutyl urea 4.3
    diisobutyl methanol 0.5
    2-phenylethanol 2.82
    styrene 0.45
    dioctyl adipate 3.67
    dimethyl sulfate 29.11
    ethyl butyrate 4.67
    methyl lactate 15.19
    butyl lactate 4.19
    diethyl carbonate 3.68
    propanediol butyl ether 4.91
    triethyl orthoformate 3.13
    p-tert-butyltoluene 0.46
    methyl 4-tert-butylbenzoate 6.46
    morpholine 8.34
    tert-butylamine 0.5
    n-dodecanol 0.49
    dimethoxymethane 19.28
    ethylene carbonate 10.8
    cyrene 17.61
    2-ethoxyethyl acetate 5.53
    2-ethylhexyl acetate 2.24
    1,2,4-trichlorobenzene 2.16
    4-methylpyridine 7.32
    dibutyl ether 0.95
    2,6-dimethyl-4-heptanol 0.5
    DEF 12.44
    dimethyl isosorbide 25.06
    tetrachloroethylene 1.19
    eugenol 8.2
    triacetin 7.82
    span 80 5.38
    1,4-butanediol 1.6
    1,1-dichloroethane 0.97
    2-methyl-1-pentanol 0.73
    methyl formate 22.24
    2-methyl-1-butanol 0.95
    n-decane 0.05
    butyronitrile 2.84
    3,7-dimethyl-1-octanol 0.71
    1-chlorooctane 0.28
    1-chlorotetradecane 0.17
    n-nonane 0.04
    undecane 0.05
    tert-butylcyclohexane 0.04
    cyclooctane 0.02
    cyclopentanol 2.17
    tetrahydropyran 2.13
    tert-amyl methyl ether 1.25
    2,5,8-trioxanonane 15.81
    1-hexene 0.2
    2-isopropoxyethanol 4.16
    2,2,2-trifluoroethanol 7.36
    methyl butyrate 7.4

    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