N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alanine

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  • Identifiers

    CAS number
    70521-70-9

    Molecular formula
    C17H35NO4

    SMILES
    CCCCCCCCCCC(CN(CCC(=O)O)CCO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 40.84%
    Oily 33.15%
    Fishy 31.38%
    Fresh 29.03%
    Sweet 28.36%
    Waxy 27.32%
    Savory 27.09%
    Fatty 26.72%
    Citrus 24.98%
    Cooling 24.54%

     

    Flavor
    Odorless 46.55%
    Mild 38.89%
    Bland 34.42%
    Fatty 30.47%
    Faint 23.5%
    Waxy 22.51%
    Bay oil 22.19%
    Slightly waxy 22.07%
    Sweet-like 21.86%
    Cultured dairy 21.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.97 (weak acid)

    Molecular weight
    317.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    439°C

    Flash point

    • 230.55 ˚C est.

  • Synonyms

    • 70521-70-9
    • N-(2-Hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alanine
    • EINECS 274-643-2
    • DTXSID10990721
    • RefChem:161749
    • DTXCID501417817
    • 274-643-2
    • OKVWJOUKDKKXQG-UHFFFAOYSA-N
    • NS00091305
    • 70521-70-9

  • Applications

    Chemical name: N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alanine; CAS 70521-70-9. This amphiphilic beta-alanine derivative features a long hydrophobic tail and a polar head, making it suitable as a surfactant/emulsifier in various formulations. In real-world applications, it is used as a conditioning/cleansing surfactant in cosmetics and personal care, as a wetting and dispersing agent in coatings and inks, as a dispersant or processing aid in polymer and plastics formulations, and as an intermediate for the synthesis of surfactant-like compounds. It may also serve in cleaning and household products as a surface-active ingredient, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.45
    methanol 124.48
    isopropanol 15.85
    water 1.08
    ethyl acetate 7.38
    n-propanol 31.3
    acetone 21.52
    n-butanol 20.77
    acetonitrile 3.87
    DMF 116.95
    toluene 3.93
    isobutanol 20.83
    1,4-dioxane 16.98
    methyl acetate 7.62
    THF 65.97
    2-butanone 13.92
    n-pentanol 19.69
    sec-butanol 14.84
    n-hexane 0.69
    ethylene glycol 21.48
    NMP 150.8
    cyclohexane 1.46
    DMSO 417.53
    n-butyl acetate 11.46
    n-octanol 9.33
    chloroform 21.73
    n-propyl acetate 12.59
    acetic acid 91.12
    dichloromethane 20.0
    cyclohexanone 58.96
    propylene glycol 38.89
    isopropyl acetate 9.08
    DMAc 138.58
    2-ethoxyethanol 61.06
    isopentanol 20.39
    n-heptane 0.64
    ethyl formate 14.6
    1,2-dichloroethane 19.22
    n-hexanol 15.3
    2-methoxyethanol 86.15
    isobutyl acetate 9.83
    tetrachloromethane 6.87
    n-pentyl acetate 13.4
    transcutol 127.64
    n-heptanol 12.15
    ethylbenzene 3.9
    MIBK 15.64
    2-propoxyethanol 48.5
    tert-butanol 23.97
    MTBE 6.85
    2-butoxyethanol 40.58
    propionic acid 37.91
    o-xylene 6.92
    formic acid 79.65
    diethyl ether 3.07
    m-xylene 5.94
    p-xylene 5.0
    chlorobenzene 6.47
    dimethyl carbonate 7.55
    n-octane 0.42
    formamide 72.35
    cyclopentanone 72.44
    2-pentanone 13.79
    anisole 8.52
    cyclopentyl methyl ether 22.15
    gamma-butyrolactone 76.05
    1-methoxy-2-propanol 54.86
    pyridine 16.95
    3-pentanone 10.13
    furfural 71.6
    n-dodecane 0.3
    diethylene glycol 52.68
    diisopropyl ether 2.21
    tert-amyl alcohol 21.65
    acetylacetone 28.01
    n-hexadecane 0.34
    acetophenone 19.67
    methyl propionate 10.79
    isopentyl acetate 14.91
    trichloroethylene 38.92
    n-nonanol 8.93
    cyclohexanol 28.25
    benzyl alcohol 20.28
    2-ethylhexanol 9.66
    isooctanol 10.93
    dipropyl ether 4.88
    1,2-dichlorobenzene 10.19
    ethyl lactate 20.02
    propylene carbonate 41.31
    n-methylformamide 52.23
    2-pentanol 8.82
    n-pentane 0.45
    1-propoxy-2-propanol 31.34
    1-methoxy-2-propyl acetate 23.47
    2-(2-methoxypropoxy) propanol 39.51
    mesitylene 4.82
    ε-caprolactone 53.8
    p-cymene 4.54
    epichlorohydrin 52.57
    1,1,1-trichloroethane 14.37
    2-aminoethanol 53.77
    morpholine-4-carbaldehyde 91.37
    sulfolane 223.01
    2,2,4-trimethylpentane 0.95
    2-methyltetrahydrofuran 25.3
    n-hexyl acetate 16.16
    isooctane 0.59
    2-(2-butoxyethoxy)ethanol 51.62
    sec-butyl acetate 8.75
    tert-butyl acetate 16.52
    decalin 1.31
    glycerin 74.71
    diglyme 86.31
    acrylic acid 40.78
    isopropyl myristate 5.6
    n-butyric acid 46.99
    acetyl acetate 10.36
    di(2-ethylhexyl) phthalate 13.75
    ethyl propionate 9.41
    nitromethane 62.95
    1,2-diethoxyethane 12.41
    benzonitrile 12.46
    trioctyl phosphate 9.82
    1-bromopropane 5.51
    gamma-valerolactone 115.34
    n-decanol 5.77
    triethyl phosphate 11.79
    4-methyl-2-pentanol 9.05
    propionitrile 5.38
    vinylene carbonate 31.84
    1,1,2-trichlorotrifluoroethane 114.77
    DMS 13.91
    cumene 4.2
    2-octanol 6.05
    2-hexanone 13.81
    octyl acetate 8.18
    limonene 6.34
    1,2-dimethoxyethane 50.04
    ethyl orthosilicate 11.2
    tributyl phosphate 11.17
    diacetone alcohol 44.01
    N,N-dimethylaniline 10.95
    acrylonitrile 9.25
    aniline 11.16
    1,3-propanediol 56.98
    bromobenzene 5.31
    dibromomethane 11.99
    1,1,2,2-tetrachloroethane 42.26
    2-methyl-cyclohexyl acetate 18.34
    tetrabutyl urea 17.19
    diisobutyl methanol 6.1
    2-phenylethanol 17.87
    styrene 3.58
    dioctyl adipate 14.67
    dimethyl sulfate 32.55
    ethyl butyrate 10.52
    methyl lactate 26.32
    butyl lactate 27.28
    diethyl carbonate 7.73
    propanediol butyl ether 45.75
    triethyl orthoformate 11.85
    p-tert-butyltoluene 4.55
    methyl 4-tert-butylbenzoate 31.13
    morpholine 35.74
    tert-butylamine 8.45
    n-dodecanol 3.78
    dimethoxymethane 27.44
    ethylene carbonate 25.69
    cyrene 60.26
    2-ethoxyethyl acetate 21.14
    2-ethylhexyl acetate 10.96
    1,2,4-trichlorobenzene 15.08
    4-methylpyridine 14.51
    dibutyl ether 4.71
    2,6-dimethyl-4-heptanol 6.1
    DEF 29.49
    dimethyl isosorbide 64.73
    tetrachloroethylene 33.12
    eugenol 34.14
    triacetin 29.39
    span 80 36.04
    1,4-butanediol 30.2
    1,1-dichloroethane 9.47
    2-methyl-1-pentanol 20.16
    methyl formate 29.42
    2-methyl-1-butanol 20.43
    n-decane 0.58
    butyronitrile 6.31
    3,7-dimethyl-1-octanol 9.62
    1-chlorooctane 3.13
    1-chlorotetradecane 1.1
    n-nonane 0.52
    undecane 0.4
    tert-butylcyclohexane 1.11
    cyclooctane 0.67
    cyclopentanol 35.12
    tetrahydropyran 16.11
    tert-amyl methyl ether 8.54
    2,5,8-trioxanonane 60.75
    1-hexene 2.39
    2-isopropoxyethanol 35.61
    2,2,2-trifluoroethanol 42.09
    methyl butyrate 17.2

    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