Phytosphingosine PCA

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  • Identifiers

    CAS number
    291520-27-9

    Molecular formula
    C23H46N2O6

    SMILES
    CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O.C1CC(=O)NC1C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 45.72%
    Oily 39.38%
    Odorless 39.33%
    Fatty 29.03%
    Fishy 27.39%
    Fresh 26.53%
    Woody 25.26%
    Citrus 24.55%
    Sweet 24.35%
    Amber 21.55%

     

    Flavor
    Mild 35.37%
    Odorless 35.02%
    Bland 33.54%
    Waxy 26.94%
    Fatty 23.79%
    Faint 23.02%
    Slightly waxy 21.85%
    Delicate 21.38%
    Bay oil 20.98%
    Sweet-like 20.87%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.35 (neutral)

    Molecular weight
    446.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    456°C

    Flash point

    • 204.41 ˚C est.

  • Synonyms

    • Phytosphingosine PCA
    • UNII-8SPM8ANN58
    • 8SPM8ANN58
    • Phytosphingosine PCA [INCI]
    • 291520-27-9
    • Q27270969
    • 291520-27-9

  • Applications

    Phytosphingosine PCA is primarily used in cosmetics and personal care as a skin-conditioning lipid, a ceramide precursor, and to support barrier function, with antimicrobial activity that can complement preservative systems in formulations; it is also evaluated for pharmaceutical topical products as an excipient or barrier-restoring lipid; in household cleaning products it may serve as an antimicrobial additive; in industrial manufacturing it can act as an intermediate in the synthesis of sphingolipid derivatives for functional ingredients; and in coatings and polymers it may be explored as a lipid-derived modifier or additive to influence film and material properties; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.06
    methanol 46.69
    isopropanol 10.18
    water 0.6
    ethyl acetate 15.38
    n-propanol 17.85
    acetone 17.14
    n-butanol 16.87
    acetonitrile 5.07
    DMF 50.86
    toluene 5.4
    isobutanol 14.68
    1,4-dioxane 37.59
    methyl acetate 11.86
    THF 119.5
    2-butanone 16.67
    n-pentanol 15.01
    sec-butanol 12.51
    n-hexane 1.41
    ethylene glycol 6.58
    NMP 147.58
    cyclohexane 6.8
    DMSO 250.68
    n-butyl acetate 27.54
    n-octanol 16.29
    chloroform 35.07
    n-propyl acetate 27.09
    acetic acid 57.64
    dichloromethane 31.62
    cyclohexanone 94.01
    propylene glycol 13.75
    isopropyl acetate 20.26
    DMAc 83.42
    2-ethoxyethanol 57.87
    isopentanol 22.05
    n-heptane 2.91
    ethyl formate 18.66
    1,2-dichloroethane 29.13
    n-hexanol 16.71
    2-methoxyethanol 70.82
    isobutyl acetate 21.07
    tetrachloromethane 13.03
    n-pentyl acetate 40.83
    transcutol 197.88
    n-heptanol 24.9
    ethylbenzene 5.85
    MIBK 22.85
    2-propoxyethanol 55.91
    tert-butanol 23.8
    MTBE 13.43
    2-butoxyethanol 74.95
    propionic acid 31.53
    o-xylene 8.86
    formic acid 32.8
    diethyl ether 6.85
    m-xylene 7.01
    p-xylene 8.24
    chlorobenzene 12.34
    dimethyl carbonate 13.14
    n-octane 1.69
    formamide 46.9
    cyclopentanone 112.8
    2-pentanone 19.62
    anisole 12.96
    cyclopentyl methyl ether 49.89
    gamma-butyrolactone 134.74
    1-methoxy-2-propanol 55.81
    pyridine 26.61
    3-pentanone 16.87
    furfural 102.38
    n-dodecane 0.93
    diethylene glycol 42.94
    diisopropyl ether 5.68
    tert-amyl alcohol 23.84
    acetylacetone 44.13
    n-hexadecane 1.07
    acetophenone 29.71
    methyl propionate 19.21
    isopentyl acetate 33.08
    trichloroethylene 58.35
    n-nonanol 16.72
    cyclohexanol 40.28
    benzyl alcohol 20.3
    2-ethylhexanol 16.48
    isooctanol 23.76
    dipropyl ether 17.14
    1,2-dichlorobenzene 19.36
    ethyl lactate 28.9
    propylene carbonate 73.38
    n-methylformamide 32.47
    2-pentanol 10.92
    n-pentane 1.15
    1-propoxy-2-propanol 50.93
    1-methoxy-2-propyl acetate 46.19
    2-(2-methoxypropoxy) propanol 44.75
    mesitylene 6.87
    ε-caprolactone 96.64
    p-cymene 9.29
    epichlorohydrin 81.67
    1,1,1-trichloroethane 25.29
    2-aminoethanol 19.59
    morpholine-4-carbaldehyde 107.0
    sulfolane 342.07
    2,2,4-trimethylpentane 2.04
    2-methyltetrahydrofuran 57.22
    n-hexyl acetate 34.9
    isooctane 1.27
    2-(2-butoxyethoxy)ethanol 75.51
    sec-butyl acetate 20.25
    tert-butyl acetate 39.46
    decalin 3.6
    glycerin 38.29
    diglyme 150.81
    acrylic acid 28.82
    isopropyl myristate 11.13
    n-butyric acid 56.51
    acetyl acetate 20.77
    di(2-ethylhexyl) phthalate 18.11
    ethyl propionate 20.33
    nitromethane 67.48
    1,2-diethoxyethane 33.75
    benzonitrile 17.7
    trioctyl phosphate 16.41
    1-bromopropane 9.03
    gamma-valerolactone 172.48
    n-decanol 10.38
    triethyl phosphate 24.77
    4-methyl-2-pentanol 11.88
    propionitrile 6.41
    vinylene carbonate 49.07
    1,1,2-trichlorotrifluoroethane 131.7
    DMS 26.04
    cumene 6.62
    2-octanol 14.95
    2-hexanone 20.24
    octyl acetate 15.94
    limonene 14.72
    1,2-dimethoxyethane 66.83
    ethyl orthosilicate 25.58
    tributyl phosphate 18.9
    diacetone alcohol 66.77
    N,N-dimethylaniline 15.46
    acrylonitrile 9.43
    aniline 14.68
    1,3-propanediol 37.49
    bromobenzene 11.23
    dibromomethane 19.68
    1,1,2,2-tetrachloroethane 67.36
    2-methyl-cyclohexyl acetate 36.25
    tetrabutyl urea 24.41
    diisobutyl methanol 13.46
    2-phenylethanol 21.61
    styrene 5.58
    dioctyl adipate 24.75
    dimethyl sulfate 47.94
    ethyl butyrate 27.53
    methyl lactate 30.56
    butyl lactate 54.88
    diethyl carbonate 17.89
    propanediol butyl ether 58.69
    triethyl orthoformate 31.8
    p-tert-butyltoluene 9.74
    methyl 4-tert-butylbenzoate 49.0
    morpholine 57.75
    tert-butylamine 11.68
    n-dodecanol 6.88
    dimethoxymethane 31.63
    ethylene carbonate 46.61
    cyrene 71.33
    2-ethoxyethyl acetate 50.01
    2-ethylhexyl acetate 25.49
    1,2,4-trichlorobenzene 26.31
    4-methylpyridine 19.35
    dibutyl ether 14.61
    2,6-dimethyl-4-heptanol 13.46
    DEF 41.59
    dimethyl isosorbide 99.72
    tetrachloroethylene 59.52
    eugenol 45.91
    triacetin 54.66
    span 80 44.96
    1,4-butanediol 15.98
    1,1-dichloroethane 14.52
    2-methyl-1-pentanol 18.87
    methyl formate 23.95
    2-methyl-1-butanol 19.37
    n-decane 1.96
    butyronitrile 8.95
    3,7-dimethyl-1-octanol 16.16
    1-chlorooctane 8.81
    1-chlorotetradecane 2.74
    n-nonane 1.79
    undecane 1.25
    tert-butylcyclohexane 2.78
    cyclooctane 2.52
    cyclopentanol 47.67
    tetrahydropyran 37.47
    tert-amyl methyl ether 15.82
    2,5,8-trioxanonane 87.53
    1-hexene 3.54
    2-isopropoxyethanol 42.15
    2,2,2-trifluoroethanol 38.3
    methyl butyrate 33.98

    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