Myristoyl methyl beta-alanine

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  • Identifiers

    CAS number
    21539-71-9

    Molecular formula
    C18H35NO3

    SMILES
    CCCCCCCCCCCCCC(=O)N(C)CCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 40.65%
    Fatty 37.82%
    Odorless 33.06%
    Savory 30.9%
    Meaty 28.73%
    Woody 28.47%
    Fresh 28.3%
    Oily 27.88%
    Citrus 27.25%
    Milky 26.85%

     

    Flavor
    Fatty 34.36%
    Bland 33.48%
    Mild 32.76%
    Odorless 32.66%
    Waxy 30.27%
    Oily 28.29%
    Faint 24.5%
    Slightly waxy 23.2%
    Bay oil 22.49%
    Herbal 21.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    6.87 (neutral)

    Molecular weight
    313.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    440°C

    Flash point

    • 201.61 ˚C est.

  • Synonyms

    • Myristoyl methyl beta-alanine
    • 21539-71-9
    • Alanon AMA
    • UNII-28I1G7X36M
    • 28I1G7X36M
    • Myristoyl methylbetaalanine
    • DTXSID70175875
    • beta-Alanine, N-methyl-N-myristoyl-
    • MYRISTOYL METHYL .BETA.-ALANINE
    • beta-Alanine, N-methyl-N-(1-oxotetradecyl)-
    • .BETA.-ALANINE, N-METHYL-N-MYRISTOYL-
    • .BETA.-ALANINE, N-METHYL-N-(1-OXOTETRADECYL)-
    • RefChem:160424
    • DTXCID8098366
    • MYRISTOYL METHYL BETA-ALANINE [INCI]
    • 3-[methyl(tetradecanoyl)amino]propanoic acid
    • b-Alanine,N-methyl-N-(1-oxotetradecyl)-
    • 3-(N-METHYLTETRADECANAMIDO)PROPANOIC ACID
    • starbld0008638
    • SCHEMBL2020746
    • N-myristoyl-N-methyl-beta-alanine
    • N-Methyl-N-tetradecanoyl-beta-alanine
    • Q27254317
    • 21539-71-9

  • Applications

    Myristoyl methyl beta-alanine (CAS 21539-71-9) is a beta-alanine derivative bearing a myristoyl group and a methyl ester, with amphiphilic character. In practice, it is used as an intermediate in chemical synthesis and may function as a surfactant/emulsifier in cosmetic and personal-care formulations, helping to stabilize emulsions and improve skin feel. Its long lipophilic myristoyl tail also enables use as a processing aid or softening agent in polymer and coating/ink systems, or as a precursor for other related chemicals in industrial manufacturing. Use and limits are subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 73.1
    methanol 135.61
    isopropanol 71.58
    water 0.14
    ethyl acetate 83.89
    n-propanol 70.06
    acetone 104.78
    n-butanol 66.46
    acetonitrile 38.25
    DMF 339.65
    toluene 38.59
    isobutanol 67.53
    1,4-dioxane 120.3
    methyl acetate 76.73
    THF 351.35
    2-butanone 115.97
    n-pentanol 62.82
    sec-butanol 70.45
    n-hexane 3.96
    ethylene glycol 9.67
    NMP 587.8
    cyclohexane 10.29
    DMSO 549.66
    n-butyl acetate 95.26
    n-octanol 28.16
    chloroform 273.59
    n-propyl acetate 129.86
    acetic acid 119.05
    dichloromethane 279.3
    cyclohexanone 365.57
    propylene glycol 33.93
    isopropyl acetate 94.21
    DMAc 552.83
    2-ethoxyethanol 150.53
    isopentanol 85.78
    n-heptane 2.06
    ethyl formate 71.0
    1,2-dichloroethane 204.3
    n-hexanol 38.6
    2-methoxyethanol 177.09
    isobutyl acetate 91.57
    tetrachloromethane 49.42
    n-pentyl acetate 115.66
    transcutol 523.82
    n-heptanol 32.4
    ethylbenzene 31.07
    MIBK 115.25
    2-propoxyethanol 117.36
    tert-butanol 127.91
    MTBE 99.59
    2-butoxyethanol 111.91
    propionic acid 99.12
    o-xylene 46.0
    formic acid 51.23
    diethyl ether 45.66
    m-xylene 37.19
    p-xylene 45.83
    chlorobenzene 73.74
    dimethyl carbonate 37.89
    n-octane 1.47
    formamide 86.51
    cyclopentanone 391.04
    2-pentanone 113.38
    anisole 71.4
    cyclopentyl methyl ether 148.47
    gamma-butyrolactone 388.9
    1-methoxy-2-propanol 169.41
    pyridine 135.21
    3-pentanone 88.56
    furfural 297.57
    n-dodecane 1.22
    diethylene glycol 70.01
    diisopropyl ether 22.11
    tert-amyl alcohol 119.35
    acetylacetone 169.13
    n-hexadecane 1.46
    acetophenone 119.59
    methyl propionate 87.11
    isopentyl acetate 110.3
    trichloroethylene 354.98
    n-nonanol 29.04
    cyclohexanol 110.64
    benzyl alcohol 75.45
    2-ethylhexanol 31.43
    isooctanol 34.54
    dipropyl ether 35.41
    1,2-dichlorobenzene 91.57
    ethyl lactate 70.33
    propylene carbonate 218.25
    n-methylformamide 118.19
    2-pentanol 46.52
    n-pentane 2.41
    1-propoxy-2-propanol 99.67
    1-methoxy-2-propyl acetate 123.68
    2-(2-methoxypropoxy) propanol 111.31
    mesitylene 26.72
    ε-caprolactone 317.68
    p-cymene 20.4
    epichlorohydrin 345.84
    1,1,1-trichloroethane 177.42
    2-aminoethanol 41.47
    morpholine-4-carbaldehyde 343.41
    sulfolane 727.28
    2,2,4-trimethylpentane 5.03
    2-methyltetrahydrofuran 207.19
    n-hexyl acetate 108.77
    isooctane 2.66
    2-(2-butoxyethoxy)ethanol 148.77
    sec-butyl acetate 94.96
    tert-butyl acetate 141.81
    decalin 8.66
    glycerin 62.95
    diglyme 318.73
    acrylic acid 77.85
    isopropyl myristate 32.77
    n-butyric acid 170.97
    acetyl acetate 72.25
    di(2-ethylhexyl) phthalate 45.58
    ethyl propionate 90.39
    nitromethane 217.27
    1,2-diethoxyethane 107.55
    benzonitrile 78.37
    trioctyl phosphate 30.55
    1-bromopropane 81.39
    gamma-valerolactone 531.47
    n-decanol 18.36
    triethyl phosphate 56.48
    4-methyl-2-pentanol 38.19
    propionitrile 45.64
    vinylene carbonate 160.31
    1,1,2-trichlorotrifluoroethane 321.81
    DMS 79.53
    cumene 25.38
    2-octanol 24.36
    2-hexanone 121.98
    octyl acetate 43.28
    limonene 32.96
    1,2-dimethoxyethane 262.39
    ethyl orthosilicate 54.73
    tributyl phosphate 43.02
    diacetone alcohol 190.07
    N,N-dimethylaniline 62.98
    acrylonitrile 58.88
    aniline 61.35
    1,3-propanediol 74.71
    bromobenzene 74.54
    dibromomethane 161.91
    1,1,2,2-tetrachloroethane 358.45
    2-methyl-cyclohexyl acetate 90.14
    tetrabutyl urea 63.46
    diisobutyl methanol 22.37
    2-phenylethanol 58.48
    styrene 36.6
    dioctyl adipate 70.88
    dimethyl sulfate 123.62
    ethyl butyrate 84.4
    methyl lactate 70.26
    butyl lactate 103.61
    diethyl carbonate 53.86
    propanediol butyl ether 104.92
    triethyl orthoformate 72.22
    p-tert-butyltoluene 19.96
    methyl 4-tert-butylbenzoate 117.48
    morpholine 214.51
    tert-butylamine 59.98
    n-dodecanol 12.3
    dimethoxymethane 118.49
    ethylene carbonate 139.32
    cyrene 150.18
    2-ethoxyethyl acetate 152.06
    2-ethylhexyl acetate 83.06
    1,2,4-trichlorobenzene 119.6
    4-methylpyridine 144.48
    dibutyl ether 41.45
    2,6-dimethyl-4-heptanol 22.37
    DEF 200.26
    dimethyl isosorbide 223.7
    tetrachloroethylene 225.16
    eugenol 104.28
    triacetin 152.52
    span 80 99.16
    1,4-butanediol 36.19
    1,1-dichloroethane 146.87
    2-methyl-1-pentanol 74.37
    methyl formate 69.96
    2-methyl-1-butanol 78.78
    n-decane 2.5
    butyronitrile 57.9
    3,7-dimethyl-1-octanol 32.14
    1-chlorooctane 18.89
    1-chlorotetradecane 5.8
    n-nonane 2.19
    undecane 1.64
    tert-butylcyclohexane 6.89
    cyclooctane 2.78
    cyclopentanol 122.52
    tetrahydropyran 157.67
    tert-amyl methyl ether 91.27
    2,5,8-trioxanonane 192.12
    1-hexene 21.36
    2-isopropoxyethanol 113.28
    2,2,2-trifluoroethanol 63.01
    methyl butyrate 160.1

    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