Lauroyl beta-alanine

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  • Identifiers

    CAS number
    21539-56-0

    Molecular formula
    C15H29NO3

    SMILES
    CCCCCCCCCCCC(=O)NCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Meaty 40.27%
    Savory 39.22%
    Odorless 38.16%
    Fatty 33.04%
    Cooling 25.45%
    Cheesy 25.38%
    Waxy 24.81%
    Fishy 23.64%
    Animal 22.86%
    Milky 22.42%

     

    Flavor
    Fatty 43.21%
    Odorless 40.82%
    Mild 35.02%
    Waxy 32.78%
    Bland 30.59%
    Oily 27.07%
    Faint 24.54%
    Cheese 23.73%
    Bay oil 23.49%
    Cultured dairy 23.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    6.75 (neutral)

    Molecular weight
    271.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    408°C

    Flash point

    • 201.05 ˚C est.

  • Synonyms

    • lauroyl beta-alanine
    • N-lauroyl-beta-alanine
    • N-Dodecanoyl-beta-alanine
    • Lma-H
    • QIT28H0U1N
    • 21539-56-0
    • beta-Alanine, N-lauroyl-
    • UNII-QIT28H0U1N
    • Lauroyl beta-alanine [INCI]
    • beta-Alanine, N-(1-oxododecyl)-
    • 3-(dodecanoylamino)propanoic Acid
    • 3-Dodecanamidopropanoic acid
    • SCHEMBL532448
    • LAUROYL .BETA.-ALANINE
    • N-LAUROYL-.BETA.-ALANINE
    • DTXSID201021358
    • N-DODECANOYL-.BETA.-ALANINE
    • .BETA.-ALANINE, N-LAUROYL-
    • AKOS014786222
    • DB-212148
    • .BETA.-ALANINE, N-(1-OXODODECYL)-
    • ST50976888
    • Q27287285
    • 21539-56-0

  • Applications

    Lauroyl beta-alanine (CAS 21539-56-0) is commonly used as an amphiphilic surface-active agent in cosmetics and personal care, where it acts as a mild surfactant and conditioning/emollient component in cleansers, shampoos, and skin-care formulations; it is also employed in household and cleaning products as a surface-active additive to enhance cleaning performance; in industrial manufacturing it serves as a processing aid or surfactant in various formulations; in the field of polymers and plastics it can be used as a modifying or reinforcing component for polymer systems; and in coatings and inks it acts as a wetting and dispersing agent to improve substrate wetting and pigment dispersion.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 114.02
    methanol 203.99
    isopropanol 84.62
    water 0.19
    ethyl acetate 48.87
    n-propanol 80.94
    acetone 109.39
    n-butanol 73.22
    acetonitrile 21.72
    DMF 417.54
    toluene 15.56
    isobutanol 67.74
    1,4-dioxane 73.79
    methyl acetate 39.95
    THF 341.47
    2-butanone 74.69
    n-pentanol 69.84
    sec-butanol 61.21
    n-hexane 3.8
    ethylene glycol 22.19
    NMP 554.76
    cyclohexane 4.03
    DMSO 923.93
    n-butyl acetate 74.83
    n-octanol 27.11
    chloroform 86.88
    n-propyl acetate 83.42
    acetic acid 134.68
    dichloromethane 89.48
    cyclohexanone 240.06
    propylene glycol 65.96
    isopropyl acetate 62.4
    DMAc 448.92
    2-ethoxyethanol 153.85
    isopentanol 84.55
    n-heptane 1.77
    ethyl formate 46.25
    1,2-dichloroethane 78.02
    n-hexanol 47.24
    2-methoxyethanol 215.91
    isobutyl acetate 69.68
    tetrachloromethane 14.38
    n-pentyl acetate 72.61
    transcutol 597.13
    n-heptanol 29.97
    ethylbenzene 16.27
    MIBK 91.53
    2-propoxyethanol 135.38
    tert-butanol 130.75
    MTBE 67.95
    2-butoxyethanol 98.77
    propionic acid 96.85
    o-xylene 23.15
    formic acid 71.52
    diethyl ether 30.97
    m-xylene 21.88
    p-xylene 23.75
    chlorobenzene 30.35
    dimethyl carbonate 29.2
    n-octane 1.13
    formamide 100.67
    cyclopentanone 318.29
    2-pentanone 88.95
    anisole 45.27
    cyclopentyl methyl ether 120.15
    gamma-butyrolactone 323.68
    1-methoxy-2-propanol 209.84
    pyridine 70.66
    3-pentanone 55.53
    furfural 225.61
    n-dodecane 1.01
    diethylene glycol 97.01
    diisopropyl ether 16.82
    tert-amyl alcohol 105.95
    acetylacetone 141.16
    n-hexadecane 1.19
    acetophenone 79.2
    methyl propionate 56.52
    isopentyl acetate 88.43
    trichloroethylene 148.66
    n-nonanol 26.12
    cyclohexanol 82.91
    benzyl alcohol 56.23
    2-ethylhexanol 32.41
    isooctanol 30.93
    dipropyl ether 30.41
    1,2-dichlorobenzene 40.15
    ethyl lactate 60.65
    propylene carbonate 164.42
    n-methylformamide 123.47
    2-pentanol 46.43
    n-pentane 1.77
    1-propoxy-2-propanol 112.12
    1-methoxy-2-propyl acetate 111.23
    2-(2-methoxypropoxy) propanol 114.53
    mesitylene 17.72
    ε-caprolactone 203.64
    p-cymene 13.56
    epichlorohydrin 226.49
    1,1,1-trichloroethane 58.39
    2-aminoethanol 76.11
    morpholine-4-carbaldehyde 305.17
    sulfolane 704.37
    2,2,4-trimethylpentane 3.44
    2-methyltetrahydrofuran 159.29
    n-hexyl acetate 83.86
    isooctane 2.34
    2-(2-butoxyethoxy)ethanol 153.52
    sec-butyl acetate 62.23
    tert-butyl acetate 107.08
    decalin 5.34
    glycerin 110.93
    diglyme 289.28
    acrylic acid 76.26
    isopropyl myristate 27.29
    n-butyric acid 148.69
    acetyl acetate 45.97
    di(2-ethylhexyl) phthalate 41.23
    ethyl propionate 58.68
    nitromethane 193.53
    1,2-diethoxyethane 87.6
    benzonitrile 47.56
    trioctyl phosphate 27.81
    1-bromopropane 31.65
    gamma-valerolactone 406.26
    n-decanol 17.62
    triethyl phosphate 43.15
    4-methyl-2-pentanol 38.97
    propionitrile 26.64
    vinylene carbonate 110.8
    1,1,2-trichlorotrifluoroethane 241.65
    DMS 64.0
    cumene 16.69
    2-octanol 20.88
    2-hexanone 93.37
    octyl acetate 35.7
    limonene 21.71
    1,2-dimethoxyethane 215.64
    ethyl orthosilicate 42.51
    tributyl phosphate 39.44
    diacetone alcohol 176.03
    N,N-dimethylaniline 46.57
    acrylonitrile 38.35
    aniline 37.69
    1,3-propanediol 109.35
    bromobenzene 28.4
    dibromomethane 51.76
    1,1,2,2-tetrachloroethane 147.74
    2-methyl-cyclohexyl acetate 74.61
    tetrabutyl urea 56.4
    diisobutyl methanol 21.72
    2-phenylethanol 47.9
    styrene 17.4
    dioctyl adipate 60.7
    dimethyl sulfate 108.79
    ethyl butyrate 60.98
    methyl lactate 74.23
    butyl lactate 85.74
    diethyl carbonate 37.2
    propanediol butyl ether 121.03
    triethyl orthoformate 53.96
    p-tert-butyltoluene 13.98
    methyl 4-tert-butylbenzoate 94.11
    morpholine 159.9
    tert-butylamine 56.61
    n-dodecanol 12.16
    dimethoxymethane 124.02
    ethylene carbonate 90.27
    cyrene 136.3
    2-ethoxyethyl acetate 103.42
    2-ethylhexyl acetate 60.64
    1,2,4-trichlorobenzene 55.86
    4-methylpyridine 79.64
    dibutyl ether 34.44
    2,6-dimethyl-4-heptanol 21.72
    DEF 149.84
    dimethyl isosorbide 209.94
    tetrachloroethylene 86.79
    eugenol 85.96
    triacetin 128.54
    span 80 102.58
    1,4-butanediol 48.62
    1,1-dichloroethane 48.18
    2-methyl-1-pentanol 73.2
    methyl formate 64.83
    2-methyl-1-butanol 73.29
    n-decane 1.93
    butyronitrile 39.88
    3,7-dimethyl-1-octanol 31.09
    1-chlorooctane 13.17
    1-chlorotetradecane 4.53
    n-nonane 1.68
    undecane 1.34
    tert-butylcyclohexane 4.99
    cyclooctane 1.58
    cyclopentanol 111.64
    tetrahydropyran 92.88
    tert-amyl methyl ether 64.57
    2,5,8-trioxanonane 188.73
    1-hexene 17.95
    2-isopropoxyethanol 118.34
    2,2,2-trifluoroethanol 54.55
    methyl butyrate 102.11

    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