Lauroyl methyl beta-alanine

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  • Identifiers

    CAS number
    21539-57-1

    Molecular formula
    C16H31NO3

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

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  • Odor profile

    Fragrance
    Fatty 34.42%
    Waxy 33.64%
    Odorless 33.17%
    Savory 31.9%
    Meaty 29.42%
    Fresh 29.39%
    Citrus 28.11%
    Milky 27.5%
    Cooling 27.13%
    Herbal 26.93%

     

    Flavor
    Odorless 32.24%
    Fatty 31.79%
    Bland 31.04%
    Mild 30.92%
    Waxy 28.63%
    Oily 28.22%
    Herbal 23.28%
    Slightly waxy 22.35%
    Bay oil 22.15%
    Cultured dairy 21.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.95 (neutral)

    Molecular weight
    285.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    416°C

    Flash point

    • 193.19 ˚C est.

  • Synonyms

    • Lauroyl methyl beta-alanine
    • Alanon Ala
    • Enagicol l-AH
    • Lauroylmethylalanine
    • 21539-57-1
    • 8NYI527FHL
    • N-Lauroyl-N-methyl-beta-alanine
    • N-Dodecanoyl-N-methyl-3-aminopropionic acid
    • Lauroyl methylbetaalanine
    • UNII-8NYI527FHL
    • DTXSID50175873
    • beta-Alanine, N-lauroyl-N-methyl-
    • Lauroyl methyl beta-alanine [INCI]
    • LAUROYL METHYL .BETA.-ALANINE
    • N-LAUROYL-N-METHYL-.BETA.-ALANINE
    • .BETA.-ALANINE, N-LAUROYL-N-METHYL-
    • RefChem:152522
    • DTXCID8098364
    • 3-(N-Methyldodecanamido)propanoic acid
    • starbld0008042
    • SCHEMBL1060017
    • N-Dodecanoyl-N-methyl-beta-alanine
    • AKOS014786814
    • Q27270798
    • 21539-57-1

  • Applications

    Lauroyl methyl beta-alanine (CAS 21539-57-1) may be used as a surfactant or co-surfactant in cosmetic and personal care formulations, leveraging its long lauroyl chain and the beta-alanine moiety to provide mild cleansing and conditioning properties. It can also function as a surface-active ingredient in household cleaning products and other cleaning formulations, enhancing wetting and dispersion. As a beta-alanine derivative, it can serve as an intermediate or building block in the synthesis of other surfactants, emulsifiers, or specialty chemicals used in polymers and plastics, as well as in coatings and inks. It may be considered as an intermediate in pharmaceutical-related chemical synthesis or in agricultural formulations as an adjuvant to improve spray efficiency, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 223.0
    methanol 419.5
    isopropanol 186.67
    water 0.21
    ethyl acetate 145.52
    n-propanol 174.27
    acetone 227.44
    n-butanol 149.98
    acetonitrile 78.44
    DMF 580.78
    toluene 49.92
    isobutanol 146.57
    1,4-dioxane 191.84
    methyl acetate 118.41
    THF 513.27
    2-butanone 180.79
    n-pentanol 130.47
    sec-butanol 148.98
    n-hexane 4.56
    ethylene glycol 26.11
    NMP 697.14
    cyclohexane 9.41
    DMSO 979.77
    n-butyl acetate 134.87
    n-octanol 33.75
    chloroform 320.79
    n-propyl acetate 170.46
    acetic acid 234.0
    dichloromethane 334.68
    cyclohexanone 477.92
    propylene glycol 84.06
    isopropyl acetate 143.19
    DMAc 697.27
    2-ethoxyethanol 262.13
    isopentanol 167.03
    n-heptane 1.86
    ethyl formate 116.0
    1,2-dichloroethane 255.02
    n-hexanol 73.49
    2-methoxyethanol 357.92
    isobutyl acetate 121.76
    tetrachloromethane 49.97
    n-pentyl acetate 118.38
    transcutol 740.26
    n-heptanol 43.12
    ethylbenzene 38.24
    MIBK 163.81
    2-propoxyethanol 194.26
    tert-butanol 271.25
    MTBE 164.31
    2-butoxyethanol 144.82
    propionic acid 178.52
    o-xylene 59.36
    formic acid 110.17
    diethyl ether 80.12
    m-xylene 50.38
    p-xylene 56.03
    chlorobenzene 92.0
    dimethyl carbonate 51.53
    n-octane 1.33
    formamide 170.8
    cyclopentanone 500.62
    2-pentanone 186.67
    anisole 92.65
    cyclopentyl methyl ether 203.82
    gamma-butyrolactone 526.64
    1-methoxy-2-propanol 307.05
    pyridine 187.81
    3-pentanone 121.19
    furfural 396.68
    n-dodecane 1.23
    diethylene glycol 130.78
    diisopropyl ether 29.85
    tert-amyl alcohol 216.76
    acetylacetone 249.01
    n-hexadecane 1.47
    acetophenone 140.78
    methyl propionate 128.96
    isopentyl acetate 150.83
    trichloroethylene 446.47
    n-nonanol 33.3
    cyclohexanol 172.78
    benzyl alcohol 110.89
    2-ethylhexanol 47.21
    isooctanol 42.8
    dipropyl ether 40.69
    1,2-dichlorobenzene 106.65
    ethyl lactate 91.45
    propylene carbonate 284.21
    n-methylformamide 224.62
    2-pentanol 95.75
    n-pentane 2.82
    1-propoxy-2-propanol 147.85
    1-methoxy-2-propyl acetate 171.01
    2-(2-methoxypropoxy) propanol 140.47
    mesitylene 33.62
    ε-caprolactone 396.92
    p-cymene 23.01
    epichlorohydrin 468.34
    1,1,1-trichloroethane 201.2
    2-aminoethanol 106.9
    morpholine-4-carbaldehyde 449.62
    sulfolane 863.87
    2,2,4-trimethylpentane 5.58
    2-methyltetrahydrofuran 297.99
    n-hexyl acetate 119.9
    isooctane 3.28
    2-(2-butoxyethoxy)ethanol 191.57
    sec-butyl acetate 119.76
    tert-butyl acetate 194.44
    decalin 8.69
    glycerin 129.89
    diglyme 393.26
    acrylic acid 132.51
    isopropyl myristate 36.38
    n-butyric acid 297.62
    acetyl acetate 105.71
    di(2-ethylhexyl) phthalate 54.83
    ethyl propionate 116.98
    nitromethane 379.61
    1,2-diethoxyethane 136.71
    benzonitrile 112.01
    trioctyl phosphate 35.73
    1-bromopropane 101.68
    gamma-valerolactone 695.2
    n-decanol 21.85
    triethyl phosphate 62.23
    4-methyl-2-pentanol 64.54
    propionitrile 82.68
    vinylene carbonate 212.15
    1,1,2-trichlorotrifluoroethane 415.11
    DMS 97.45
    cumene 30.52
    2-octanol 29.69
    2-hexanone 167.06
    octyl acetate 48.57
    limonene 37.4
    1,2-dimethoxyethane 392.59
    ethyl orthosilicate 59.85
    tributyl phosphate 49.78
    diacetone alcohol 270.43
    N,N-dimethylaniline 78.84
    acrylonitrile 104.91
    aniline 96.04
    1,3-propanediol 175.55
    bromobenzene 88.9
    dibromomethane 190.76
    1,1,2,2-tetrachloroethane 430.23
    2-methyl-cyclohexyl acetate 103.86
    tetrabutyl urea 69.52
    diisobutyl methanol 29.03
    2-phenylethanol 84.56
    styrene 45.97
    dioctyl adipate 78.92
    dimethyl sulfate 158.27
    ethyl butyrate 100.18
    methyl lactate 103.3
    butyl lactate 120.04
    diethyl carbonate 64.71
    propanediol butyl ether 147.1
    triethyl orthoformate 79.3
    p-tert-butyltoluene 22.9
    methyl 4-tert-butylbenzoate 127.48
    morpholine 358.04
    tert-butylamine 115.27
    n-dodecanol 15.01
    dimethoxymethane 198.13
    ethylene carbonate 183.59
    cyrene 178.53
    2-ethoxyethyl acetate 170.05
    2-ethylhexyl acetate 103.93
    1,2,4-trichlorobenzene 137.25
    4-methylpyridine 210.51
    dibutyl ether 44.74
    2,6-dimethyl-4-heptanol 29.03
    DEF 284.14
    dimethyl isosorbide 255.89
    tetrachloroethylene 260.4
    eugenol 120.92
    triacetin 165.1
    span 80 122.11
    1,4-butanediol 78.43
    1,1-dichloroethane 187.34
    2-methyl-1-pentanol 135.69
    methyl formate 123.11
    2-methyl-1-butanol 150.27
    n-decane 2.32
    butyronitrile 103.61
    3,7-dimethyl-1-octanol 41.46
    1-chlorooctane 18.61
    1-chlorotetradecane 6.06
    n-nonane 1.99
    undecane 1.58
    tert-butylcyclohexane 7.51
    cyclooctane 2.53
    cyclopentanol 203.12
    tetrahydropyran 230.3
    tert-amyl methyl ether 130.4
    2,5,8-trioxanonane 235.24
    1-hexene 30.54
    2-isopropoxyethanol 184.38
    2,2,2-trifluoroethanol 97.63
    methyl butyrate 208.7

    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