Advantame

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  • Identifiers

    CAS number
    714229-20-6

    Molecular formula
    C24H32N2O8

    SMILES
    COC1=C(C=C(C=C1)CCCN[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)O.O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.71%
    Savory 40.11%
    Cooling 26.94%
    Meaty 26.47%
    Milky 25.17%
    Cooked 21.1%
    Bitter 17.86%
    Dairy 16.28%
    Sweet 15.91%
    Animal 15.71%

     

    Flavor
    Bitter 60.44%
    Odorless 55.89%
    Bland 37.24%
    Mild 31.33%
    Sweet-like 22.45%
    Nitrile 19.43%
    Heather 19.21%
    Cedarleaf 18.88%
    Very mild 18.87%
    Broom 18.76%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.72 (neutral)

    Molecular weight
    476.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    700°C

    Flash point

    • 250.04 ˚C est.

  • Synonyms

    • Advantame
    • 714229-20-6
    • UNII-3ZA6810AWX
    • Advantame monohydrate
    • 3ZA6810AWX
    • MFCD28144745
    • (S)-3-((3-(3-Hydroxy-4-methoxyphenyl)propyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid hydrate
    • L-Phenylalanine, N-(3-(3-hydroxy-4-methoxyphenyl)propyl)-l-alpha-aspartyl-, 2-methyl ester, hydrate (1:1)
    • L-Phenylalanine, N-(3-(3-hydroxy-4-methoxyphenyl)propyl)-l-alpha-aspartyl-, 2-methyl ester, monohydrate
    • Phenylalanine, N-(3-(3-hydroxy-4-methoxyphenyl)propyl)-alpha-aspartyl-, 2-methyl ester, monohydrate
    • advantame hydrate
    • ADVANTAME [USP-RS]
    • INS NO.969
    • MSK5115W
    • orb1941610
    • orb3025945
    • SCHEMBL2156362
    • FEMA NO. 4716
    • DTXSID00991787
    • INS-969
    • C24H32N2O8
    • EX-A8009
    • HY-122351A
    • DA-50248
    • E969
    • CS-0835016
    • E-969
    • NS00127040
    • G90455
    • Q27258250
    • (3S)-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[3-(4-methoxy-3-oxidanyl-phenyl)propylamino]-4-oxidanylidene-butanoic acid;hydrate
    • 4-Hydroxy-3-{[3-(3-hydroxy-4-methoxyphenyl)propyl]amino}-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]butanoic acid--water (1/1)
    • L-PHENYLALANINE, N-(3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL)-L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, HYDRATE (1:1)
    • L-PHENYLALANINE, N-(3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL)-L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, MONOHYDRATE
    • Methyl N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalaninate--water (1/1)
    • N-(N-(3-(3-HYDROXY-4-METHOXYPHENYL) PROPYL)-L-.ALPHA.-ASPARTYL)-L-PHENYLALANINE-1-METHYL ESTER, MONOHYDRATE
    • PHENYLALANINE, N-(3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL)-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, MONOHYDRATE
    • 714229-20-6

  • Applications

    Advantame (CAS 714229-20-6) is a high-intensity artificial sweetener used to impart sweetness in a broad range of products. In practice it is commonly applied in food processing, beverages, confectionery and baked goods, dairy products, and oral pharmaceutical formulations to improve palatability. Its extreme sweetness enables sugar reduction and lower caloric content while maintaining taste, and it can also serve as a minor flavor modifier in certain flavor systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.71
    methanol 21.88
    isopropanol 3.98
    water 0.95
    ethyl acetate 5.46
    n-propanol 5.14
    acetone 22.09
    n-butanol 3.31
    acetonitrile 2.91
    DMF 97.7
    toluene 0.74
    isobutanol 2.35
    1,4-dioxane 15.94
    methyl acetate 6.79
    THF 41.22
    2-butanone 9.65
    n-pentanol 2.65
    sec-butanol 3.28
    n-hexane 0.09
    ethylene glycol 12.61
    NMP 90.29
    cyclohexane 0.14
    DMSO 321.7
    n-butyl acetate 0.77
    n-octanol 1.19
    chloroform 3.02
    n-propyl acetate 1.6
    acetic acid 52.72
    dichloromethane 3.68
    cyclohexanone 13.68
    propylene glycol 15.4
    isopropyl acetate 2.79
    DMAc 184.01
    2-ethoxyethanol 29.53
    isopentanol 2.11
    n-heptane 0.11
    ethyl formate 4.8
    1,2-dichloroethane 3.65
    n-hexanol 0.97
    2-methoxyethanol 65.46
    isobutyl acetate 0.65
    tetrachloromethane 0.58
    n-pentyl acetate 1.27
    transcutol 32.09
    n-heptanol 1.34
    ethylbenzene 0.47
    MIBK 2.31
    2-propoxyethanol 11.25
    tert-butanol 3.77
    MTBE 1.52
    2-butoxyethanol 7.38
    propionic acid 10.03
    o-xylene 0.67
    formic acid 75.75
    diethyl ether 2.09
    m-xylene 0.45
    p-xylene 0.59
    chlorobenzene 0.72
    dimethyl carbonate 11.37
    n-octane 0.09
    formamide 93.51
    cyclopentanone 29.07
    2-pentanone 6.9
    anisole 2.2
    cyclopentyl methyl ether 5.52
    gamma-butyrolactone 31.74
    1-methoxy-2-propanol 33.27
    pyridine 6.92
    3-pentanone 5.35
    furfural 19.48
    n-dodecane 0.05
    diethylene glycol 18.88
    diisopropyl ether 0.41
    tert-amyl alcohol 3.21
    acetylacetone 15.4
    n-hexadecane 0.06
    acetophenone 3.42
    methyl propionate 9.63
    isopentyl acetate 0.76
    trichloroethylene 6.58
    n-nonanol 1.3
    cyclohexanol 3.4
    benzyl alcohol 3.93
    2-ethylhexanol 0.52
    isooctanol 0.93
    dipropyl ether 1.35
    1,2-dichlorobenzene 0.86
    ethyl lactate 3.71
    propylene carbonate 6.77
    n-methylformamide 34.79
    2-pentanol 1.75
    n-pentane 0.08
    1-propoxy-2-propanol 5.45
    1-methoxy-2-propyl acetate 3.42
    2-(2-methoxypropoxy) propanol 7.26
    mesitylene 0.26
    ε-caprolactone 10.81
    p-cymene 0.23
    epichlorohydrin 23.11
    1,1,1-trichloroethane 1.55
    2-aminoethanol 17.34
    morpholine-4-carbaldehyde 61.81
    sulfolane 77.48
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 8.73
    n-hexyl acetate 1.68
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 11.8
    sec-butyl acetate 1.1
    tert-butyl acetate 2.62
    decalin 0.07
    glycerin 41.37
    diglyme 21.89
    acrylic acid 14.82
    isopropyl myristate 0.64
    n-butyric acid 9.08
    acetyl acetate 4.49
    di(2-ethylhexyl) phthalate 1.04
    ethyl propionate 2.44
    nitromethane 78.18
    1,2-diethoxyethane 3.78
    benzonitrile 1.35
    trioctyl phosphate 0.8
    1-bromopropane 1.0
    gamma-valerolactone 51.65
    n-decanol 0.91
    triethyl phosphate 1.27
    4-methyl-2-pentanol 0.75
    propionitrile 1.98
    vinylene carbonate 6.0
    1,1,2-trichlorotrifluoroethane 32.98
    DMS 2.98
    cumene 0.3
    2-octanol 0.77
    2-hexanone 2.57
    octyl acetate 1.09
    limonene 0.34
    1,2-dimethoxyethane 23.52
    ethyl orthosilicate 1.24
    tributyl phosphate 0.91
    diacetone alcohol 9.15
    N,N-dimethylaniline 2.09
    acrylonitrile 3.87
    aniline 2.83
    1,3-propanediol 20.45
    bromobenzene 0.59
    dibromomethane 1.61
    1,1,2,2-tetrachloroethane 6.83
    2-methyl-cyclohexyl acetate 1.12
    tetrabutyl urea 2.1
    diisobutyl methanol 0.34
    2-phenylethanol 1.65
    styrene 0.54
    dioctyl adipate 1.39
    dimethyl sulfate 28.19
    ethyl butyrate 1.27
    methyl lactate 15.95
    butyl lactate 2.49
    diethyl carbonate 0.92
    propanediol butyl ether 7.96
    triethyl orthoformate 1.61
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 3.82
    morpholine 23.67
    tert-butylamine 0.94
    n-dodecanol 0.61
    dimethoxymethane 44.91
    ethylene carbonate 4.82
    cyrene 13.36
    2-ethoxyethyl acetate 3.34
    2-ethylhexyl acetate 0.53
    1,2,4-trichlorobenzene 1.42
    4-methylpyridine 4.49
    dibutyl ether 1.12
    2,6-dimethyl-4-heptanol 0.34
    DEF 16.03
    dimethyl isosorbide 9.45
    tetrachloroethylene 4.65
    eugenol 4.19
    triacetin 3.82
    span 80 5.23
    1,4-butanediol 8.39
    1,1-dichloroethane 1.86
    2-methyl-1-pentanol 1.77
    methyl formate 26.64
    2-methyl-1-butanol 2.25
    n-decane 0.11
    butyronitrile 1.57
    3,7-dimethyl-1-octanol 0.75
    1-chlorooctane 0.39
    1-chlorotetradecane 0.15
    n-nonane 0.1
    undecane 0.07
    tert-butylcyclohexane 0.05
    cyclooctane 0.07
    cyclopentanol 7.16
    tetrahydropyran 5.7
    tert-amyl methyl ether 1.89
    2,5,8-trioxanonane 16.01
    1-hexene 0.35
    2-isopropoxyethanol 10.35
    2,2,2-trifluoroethanol 21.25
    methyl butyrate 3.21

    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