Phytosphingosine acetamide

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  • Identifiers

    CAS number
    21830-28-4

    Molecular formula
    C20H41NO4

    SMILES
    CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.56%
    Waxy 32.29%
    Oily 30.63%
    Savory 28.6%
    Cooling 27.24%
    Fresh 26.73%
    Fatty 26.25%
    Citrus 24.42%
    Mint 23.77%
    Milky 23.62%

     

    Flavor
    Odorless 40.61%
    Bland 36.07%
    Mild 35.67%
    Fatty 23.32%
    Faint 23.24%
    Waxy 23.14%
    Slightly waxy 21.65%
    Sweet-like 21.22%
    Bay oil 21.14%
    Delicate 20.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.03 (neutral)

    Molecular weight
    359.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    573°C

    Flash point

    • 224.26 ˚C est.

  • Synonyms

    • Phytosphingosine acetamide
    • 21830-28-4
    • N-Acetylphytosphingosine
    • DS-N-acetylphytosphingosine
    • CYTOMIDE NAPS
    • BIOMIDE NAPS
    • DS-WHITEKLE
    • RZ4494XR10
    • DS-WHITEKLE (DS-NAPS)
    • DTXSID90176243
    • D-Ribo-1,3,4-trihydroxy-2-acetamidooctadecane
    • Acetamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-
    • Acetamide, N-((1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl)-
    • Acetamide, N-(2,3-dihydroxy-1-(hydroxymethyl)heptadecyl)-, D-ribo-
    • Acetamide, N-(2,3-dihydroxy-1-(hydroxymethyl)heptadecyl)-, (1S-(1R*,2R*,3S*))-
    • NAPS compound
    • RefChem:174108
    • DTXCID8098734
    • N-[(2S,3S,4R)-1,3,4-TRIHYDROXYOCTADECAN-2-YL]ACETAMIDE
    • N-Acetyl Phytosphingosine
    • C2 Phytoceramide (t18:0/2:0)
    • Phytoceramide C2
    • C20H41NO4
    • ACETYLPHYTOSPHINGOSINE
    • N-acetyl (2S, 3S, 4R)-2-amino-1,3,4 -octadecanetriol
    • UNII-RZ4494XR10
    • orb2664046
    • SCHEMBL1479154
    • CHEMBL1485886
    • Phytoceramide C2, 98% (TLC)
    • Phytosphingosine acetamide [INCI]
    • 475995-69-8
    • CCG-208163
    • NCGC00163520-01
    • HY-164263
    • SR-05000002367
    • SR-05000002367-2
    • Q27288353
    • N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]acetamide
    • N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-acetamide
    • N-02:0 Phytosphingosine, N-acetoyl 4-hydroxysphinganine (Saccharomyces Cerevisiae), powder
    • 21830-28-4

  • Applications

    Phytosphingosine acetamide, CAS 21830-28-4, is a sphingolipid-inspired compound used primarily in cosmetics and personal care as a ceramide-like lipid that supports the skin barrier and moisturization. It is also used as a synthetic intermediate for sphingolipid derivatives in pharmaceutical development and lipid biology research. In R&D settings, it serves as a building block to create ceramide analogs and other lipid-based compounds for formulations, including lipid-based delivery systems such as emulsions or lipid nanoparticles for skin or topical studies. Its use is typical in specialty lipid chemistry, with applications in cosmetic formulators and pharmaceutical research, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.65
    methanol 58.37
    isopropanol 11.66
    water 0.78
    ethyl acetate 15.37
    n-propanol 18.71
    acetone 26.32
    n-butanol 14.79
    acetonitrile 6.46
    DMF 112.49
    toluene 5.57
    isobutanol 15.19
    1,4-dioxane 40.41
    methyl acetate 15.53
    THF 139.08
    2-butanone 23.76
    n-pentanol 15.8
    sec-butanol 14.7
    n-hexane 1.06
    ethylene glycol 6.68
    NMP 232.92
    cyclohexane 3.97
    DMSO 310.55
    n-butyl acetate 22.39
    n-octanol 15.81
    chloroform 32.76
    n-propyl acetate 27.69
    acetic acid 59.99
    dichloromethane 32.42
    cyclohexanone 111.98
    propylene glycol 15.58
    isopropyl acetate 20.8
    DMAc 204.96
    2-ethoxyethanol 59.64
    isopentanol 18.67
    n-heptane 1.26
    ethyl formate 20.82
    1,2-dichloroethane 28.88
    n-hexanol 12.3
    2-methoxyethanol 69.59
    isobutyl acetate 20.4
    tetrachloromethane 10.52
    n-pentyl acetate 38.05
    transcutol 194.84
    n-heptanol 18.31
    ethylbenzene 6.56
    MIBK 24.18
    2-propoxyethanol 45.85
    tert-butanol 24.85
    MTBE 16.72
    2-butoxyethanol 63.92
    propionic acid 32.69
    o-xylene 9.39
    formic acid 38.27
    diethyl ether 6.97
    m-xylene 6.58
    p-xylene 9.5
    chlorobenzene 11.16
    dimethyl carbonate 15.48
    n-octane 1.02
    formamide 51.82
    cyclopentanone 124.55
    2-pentanone 22.46
    anisole 15.59
    cyclopentyl methyl ether 45.13
    gamma-butyrolactone 134.15
    1-methoxy-2-propanol 54.86
    pyridine 30.22
    3-pentanone 19.85
    furfural 98.29
    n-dodecane 0.69
    diethylene glycol 37.01
    diisopropyl ether 4.69
    tert-amyl alcohol 27.32
    acetylacetone 48.2
    n-hexadecane 0.78
    acetophenone 32.35
    methyl propionate 20.87
    isopentyl acetate 27.8
    trichloroethylene 56.29
    n-nonanol 16.01
    cyclohexanol 35.42
    benzyl alcohol 21.04
    2-ethylhexanol 11.61
    isooctanol 17.66
    dipropyl ether 11.03
    1,2-dichlorobenzene 15.93
    ethyl lactate 26.71
    propylene carbonate 70.3
    n-methylformamide 42.31
    2-pentanol 10.17
    n-pentane 0.68
    1-propoxy-2-propanol 38.2
    1-methoxy-2-propyl acetate 38.02
    2-(2-methoxypropoxy) propanol 48.02
    mesitylene 5.71
    ε-caprolactone 105.9
    p-cymene 6.59
    epichlorohydrin 86.39
    1,1,1-trichloroethane 25.45
    2-aminoethanol 20.47
    morpholine-4-carbaldehyde 136.69
    sulfolane 329.89
    2,2,4-trimethylpentane 1.45
    2-methyltetrahydrofuran 61.81
    n-hexyl acetate 37.31
    isooctane 0.73
    2-(2-butoxyethoxy)ethanol 69.64
    sec-butyl acetate 20.14
    tert-butyl acetate 35.91
    decalin 2.68
    glycerin 37.94
    diglyme 146.2
    acrylic acid 29.84
    isopropyl myristate 11.04
    n-butyric acid 52.39
    acetyl acetate 18.32
    di(2-ethylhexyl) phthalate 19.05
    ethyl propionate 21.2
    nitromethane 73.46
    1,2-diethoxyethane 31.98
    benzonitrile 18.12
    trioctyl phosphate 14.57
    1-bromopropane 9.37
    gamma-valerolactone 193.83
    n-decanol 9.63
    triethyl phosphate 21.53
    4-methyl-2-pentanol 9.7
    propionitrile 7.84
    vinylene carbonate 52.93
    1,1,2-trichlorotrifluoroethane 121.56
    DMS 26.55
    cumene 6.39
    2-octanol 12.1
    2-hexanone 25.39
    octyl acetate 16.43
    limonene 10.3
    1,2-dimethoxyethane 86.7
    ethyl orthosilicate 21.2
    tributyl phosphate 17.95
    diacetone alcohol 63.11
    N,N-dimethylaniline 17.9
    acrylonitrile 11.24
    aniline 12.9
    1,3-propanediol 30.73
    bromobenzene 9.91
    dibromomethane 18.52
    1,1,2,2-tetrachloroethane 63.31
    2-methyl-cyclohexyl acetate 30.52
    tetrabutyl urea 26.95
    diisobutyl methanol 8.46
    2-phenylethanol 18.7
    styrene 6.41
    dioctyl adipate 26.28
    dimethyl sulfate 53.12
    ethyl butyrate 23.68
    methyl lactate 30.27
    butyl lactate 47.18
    diethyl carbonate 15.92
    propanediol butyl ether 59.28
    triethyl orthoformate 26.05
    p-tert-butyltoluene 6.72
    methyl 4-tert-butylbenzoate 48.29
    morpholine 68.74
    tert-butylamine 10.87
    n-dodecanol 6.26
    dimethoxymethane 38.8
    ethylene carbonate 46.79
    cyrene 72.89
    2-ethoxyethyl acetate 52.29
    2-ethylhexyl acetate 21.46
    1,2,4-trichlorobenzene 22.9
    4-methylpyridine 25.31
    dibutyl ether 14.08
    2,6-dimethyl-4-heptanol 8.46
    DEF 54.64
    dimethyl isosorbide 93.5
    tetrachloroethylene 48.62
    eugenol 48.17
    triacetin 56.37
    span 80 44.74
    1,4-butanediol 15.46
    1,1-dichloroethane 16.04
    2-methyl-1-pentanol 19.29
    methyl formate 31.08
    2-methyl-1-butanol 18.77
    n-decane 1.47
    butyronitrile 9.76
    3,7-dimethyl-1-octanol 14.58
    1-chlorooctane 7.84
    1-chlorotetradecane 2.34
    n-nonane 1.31
    undecane 0.94
    tert-butylcyclohexane 2.02
    cyclooctane 1.28
    cyclopentanol 43.47
    tetrahydropyran 42.68
    tert-amyl methyl ether 19.12
    2,5,8-trioxanonane 85.35
    1-hexene 3.61
    2-isopropoxyethanol 40.69
    2,2,2-trifluoroethanol 38.67
    methyl butyrate 38.13

    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