Neotame

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  • Identifiers

    CAS number
    165450-17-9

    Molecular formula
    C20H30N2O5

    SMILES
    CC(C)(C)CCN[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 45.64%
    Savory 33.17%
    Cooling 31.14%
    Milky 22.93%
    Mint 21.5%
    Meaty 20.25%
    Fruity 19.83%
    Oily 19.59%
    Fatty 18.82%
    Citrus 18.61%

     

    Flavor
    Bitter 52.35%
    Odorless 45.54%
    Bland 34.29%
    Mild 29.68%
    Sweet-like 20.21%
    Heather 19.57%
    Cedarleaf 19.18%
    Broom 19.11%
    Nitrile 18.98%
    Genet 18.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    6.1 (neutral)

    Molecular weight
    378.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    589°C

    Melting point expt.

    • 81 °C to 84 °C

    Flash point

    • 220.41 ˚C est.

    Solubility expt.

    • 4,75 % (w/w) at 60 °C in water, soluble in ethanol and ethyl acetate

  • Synonyms

    • Neotame
    • 165450-17-9
    • N-(N-(3,3-dimethylbutyl)-L-alpha-aspartyl)-L-phenylalanine 1-methyl ester
    • VJ597D52EX
    • INS-961
    • INS NO.961
    • CHEBI:83503
    • DTXSID50167950
    • NC-00723
    • E 961
    • E-961
    • RefChem:165409
    • DTXCID2090441
    • 3-((3,3-dimethylbutyl)amino)-3-((1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl)propanoic acid
    • (S)-3-((3,3-Dimethylbutyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid
    • MFCD09039056
    • L-Phenylalanine, N-(3,3-dimethylbutyl)-L-alpha-aspartyl-, 2-methyl ester
    • methyl N-(3,3-dimethylbutyl)-L-alpha-aspartyl-L-phenylalaninate
    • Neutame.
    • (3S)-3-(3,3-dimethylbutylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
    • Neotame [NF]
    • UNII-VJ597D52EX
    • NC 00723
    • HSDB 7965
    • Neotame (Standard)
    • Neotame (Excipient)
    • E961
    • NEOTAME [FHFI]
    • NEOTAME [FCC]
    • NEOTAME [II]
    • NEOTAME [MI]
    • NEOTAME [MART.]
    • NEOTAME [USP-RS]
    • MIRASEE 200
    • SCHEMBL4311
    • Neotame, analytical standard
    • (3S)-3-[(3,3-dimethylbutyl)amino]-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid
    • CHEMBL3718532
    • N-[N-(3,3-Dimethylbutyl)-L-a-aspartyl]-L-phenylalanine 1-methyl ester
    • MSK5106
    • Neotame 1000 microg/mL in Water
    • HY-W011053A
    • HY-W011053R
    • s4442
    • AKOS016842430
    • CS-W011769
    • FN33351
    • GS-3213
    • HY-W011053
    • SY067109
    • N1112
    • 450N179
    • F404989
    • Q415698
    • L-Phenylalanine, N-(3,3-dimethylbutyl)-L-|A-aspartyl-, 2-methyl ester
    • N-[N-(3,3-dimethylbutyl)-L-alpha-aspartyl]-L-phenylalanine methyl ester
    • L-PHENYLALANINE, N-(N-(3,3-DIMETHYLBUTYL)-L-.ALPHA.-ASPARTYL)-1-METHYL ESTER
    • N-(N-(3,3-DIMETHYLBUTYL)-L-.ALPHA.-ASPARTYL)-L-PHENYLALANINE 1-METHYL ESTER
    • (3S)-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-3-(3,3-dimethylbutylamino)-4-oxo-butanoic acid
    • (S)-3-((3,3-Dimethylbutyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoicacid
    • 165450-17-9

  • Applications

    Neotame (CAS 165450-17-9) is a high-intensity, non-caloric sweetener used primarily in food and beverage formulations; its heat stability and powerful sweetness enable use across multiple processed-food categories, including confectionery, baked goods, dairy products, and other processed foods. It is commonly employed as a sweetener in flavor systems and can serve as a taste-masking excipient in pharmaceutical formulations to improve palatability. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.55
    methanol 69.71
    isopropanol 5.29
    water 2.04
    ethyl acetate 6.28
    n-propanol 9.78
    acetone 15.19
    n-butanol 4.61
    acetonitrile 3.89
    DMF 169.69
    toluene 1.69
    isobutanol 4.76
    1,4-dioxane 8.65
    methyl acetate 7.98
    THF 27.91
    2-butanone 8.5
    n-pentanol 6.02
    sec-butanol 4.38
    n-hexane 0.22
    ethylene glycol 24.16
    NMP 207.76
    cyclohexane 0.18
    DMSO 146.92
    n-butyl acetate 4.61
    n-octanol 2.05
    chloroform 13.85
    n-propyl acetate 5.58
    acetic acid 143.77
    dichloromethane 12.34
    cyclohexanone 17.2
    propylene glycol 40.43
    isopropyl acetate 4.85
    DMAc 254.51
    2-ethoxyethanol 52.22
    isopentanol 4.14
    n-heptane 0.17
    ethyl formate 11.79
    1,2-dichloroethane 8.48
    n-hexanol 4.29
    2-methoxyethanol 88.99
    isobutyl acetate 3.63
    tetrachloromethane 1.83
    n-pentyl acetate 3.3
    transcutol 92.37
    n-heptanol 3.22
    ethylbenzene 1.57
    MIBK 5.55
    2-propoxyethanol 38.16
    tert-butanol 6.28
    MTBE 2.15
    2-butoxyethanol 21.09
    propionic acid 25.28
    o-xylene 2.03
    formic acid 240.14
    diethyl ether 1.62
    m-xylene 1.85
    p-xylene 2.29
    chlorobenzene 2.74
    dimethyl carbonate 16.9
    n-octane 0.12
    formamide 188.05
    cyclopentanone 35.99
    2-pentanone 6.88
    anisole 5.97
    cyclopentyl methyl ether 7.62
    gamma-butyrolactone 57.49
    1-methoxy-2-propanol 50.28
    pyridine 12.03
    3-pentanone 5.3
    furfural 58.24
    n-dodecane 0.08
    diethylene glycol 56.67
    diisopropyl ether 0.73
    tert-amyl alcohol 6.09
    acetylacetone 20.29
    n-hexadecane 0.09
    acetophenone 12.59
    methyl propionate 10.92
    isopentyl acetate 5.33
    trichloroethylene 25.36
    n-nonanol 2.21
    cyclohexanol 4.27
    benzyl alcohol 11.85
    2-ethylhexanol 2.23
    isooctanol 2.69
    dipropyl ether 2.14
    1,2-dichlorobenzene 4.09
    ethyl lactate 15.69
    propylene carbonate 30.4
    n-methylformamide 73.99
    2-pentanol 2.34
    n-pentane 0.13
    1-propoxy-2-propanol 19.18
    1-methoxy-2-propyl acetate 16.9
    2-(2-methoxypropoxy) propanol 28.12
    mesitylene 1.21
    ε-caprolactone 22.92
    p-cymene 1.21
    epichlorohydrin 39.94
    1,1,1-trichloroethane 5.76
    2-aminoethanol 46.36
    morpholine-4-carbaldehyde 117.62
    sulfolane 129.45
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 8.48
    n-hexyl acetate 4.35
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 35.14
    sec-butyl acetate 3.8
    tert-butyl acetate 7.21
    decalin 0.2
    glycerin 100.17
    diglyme 58.11
    acrylic acid 38.96
    isopropyl myristate 1.53
    n-butyric acid 21.76
    acetyl acetate 8.45
    di(2-ethylhexyl) phthalate 4.94
    ethyl propionate 5.98
    nitromethane 117.19
    1,2-diethoxyethane 6.31
    benzonitrile 5.28
    trioctyl phosphate 2.74
    1-bromopropane 1.99
    gamma-valerolactone 84.61
    n-decanol 1.61
    triethyl phosphate 5.62
    4-methyl-2-pentanol 2.07
    propionitrile 3.03
    vinylene carbonate 26.47
    1,1,2-trichlorotrifluoroethane 102.25
    DMS 9.75
    cumene 1.44
    2-octanol 1.48
    2-hexanone 5.5
    octyl acetate 2.43
    limonene 1.44
    1,2-dimethoxyethane 35.27
    ethyl orthosilicate 4.98
    tributyl phosphate 3.78
    diacetone alcohol 26.07
    N,N-dimethylaniline 7.76
    acrylonitrile 7.28
    aniline 5.94
    1,3-propanediol 33.88
    bromobenzene 2.34
    dibromomethane 5.67
    1,1,2,2-tetrachloroethane 23.49
    2-methyl-cyclohexyl acetate 6.42
    tetrabutyl urea 6.95
    diisobutyl methanol 1.53
    2-phenylethanol 8.36
    styrene 1.8
    dioctyl adipate 4.26
    dimethyl sulfate 49.9
    ethyl butyrate 5.1
    methyl lactate 35.62
    butyl lactate 10.94
    diethyl carbonate 4.26
    propanediol butyl ether 27.1
    triethyl orthoformate 5.43
    p-tert-butyltoluene 1.22
    methyl 4-tert-butylbenzoate 16.65
    morpholine 18.88
    tert-butylamine 1.72
    n-dodecanol 1.13
    dimethoxymethane 39.76
    ethylene carbonate 16.25
    cyrene 51.0
    2-ethoxyethyl acetate 8.94
    2-ethylhexyl acetate 3.55
    1,2,4-trichlorobenzene 6.81
    4-methylpyridine 9.56
    dibutyl ether 1.3
    2,6-dimethyl-4-heptanol 1.53
    DEF 21.86
    dimethyl isosorbide 53.51
    tetrachloroethylene 15.21
    eugenol 20.99
    triacetin 13.85
    span 80 19.02
    1,4-butanediol 18.57
    1,1-dichloroethane 4.95
    2-methyl-1-pentanol 5.45
    methyl formate 53.11
    2-methyl-1-butanol 4.72
    n-decane 0.15
    butyronitrile 2.67
    3,7-dimethyl-1-octanol 2.18
    1-chlorooctane 0.68
    1-chlorotetradecane 0.29
    n-nonane 0.13
    undecane 0.11
    tert-butylcyclohexane 0.2
    cyclooctane 0.1
    cyclopentanol 8.84
    tetrahydropyran 3.83
    tert-amyl methyl ether 2.86
    2,5,8-trioxanonane 44.73
    1-hexene 0.94
    2-isopropoxyethanol 23.3
    2,2,2-trifluoroethanol 55.16
    methyl butyrate 10.25

    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