Hydroxycapryloyl Phytosphingosine

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  • Identifiers

    CAS number
    173840-45-4

    Molecular formula
    C26H53NO5

    SMILES
    CCCCCCCCCCCCCC[C@H]([C@H]([C@H](C(C(=O)CCCCCCCO)O)N)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.62%
    Waxy 35.36%
    Oily 35.28%
    Fresh 28.47%
    Sweet 27.1%
    Woody 26.79%
    Fatty 24.8%
    Cooling 24.41%
    Mint 23.14%
    Milky 22.85%

     

    Flavor
    Odorless 39.33%
    Bland 35.51%
    Mild 34.76%
    Waxy 26.5%
    Fatty 24.75%
    Faint 22.45%
    Sweet-like 21.94%
    Slightly waxy 21.72%
    Bay oil 21.06%
    Delicate 20.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.04 (neutral)

    Molecular weight
    459.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    936°C

    Flash point

    • 239.06 ˚C est.

  • Synonyms

    • Hydroxycapryloyl Phytosphingosine
    • DTXSID401021835
    • 173840-45-4
    • RefChem:789454
    • DTXCID301506785
    • 173840-45-4

  • Applications

    Hydroxycapryloyl Phytosphingosine (CAS 173840-45-4) is used in cosmetics and personal care as a skin-conditioning emollient and a ceramide-like lipid to support the skin barrier; in hair care it can act as a conditioning agent and improve manageability; as a lipid-based ingredient it is commonly used as a ceramide-like component in dermatological and topical formulations to aid lipid restoration; it can serve as an intermediate in the synthesis of sphingolipid or ceramide-like lipids; in lipid-based emulsions it may be evaluated as an active lipid component to improve texture and formulation stability; and in cosmetic/pharmaceutical contexts it may appear as a lipid-based excipient supporting topical delivery.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.91
    methanol 20.02
    isopropanol 2.7
    water 3.05
    ethyl acetate 6.51
    n-propanol 5.67
    acetone 9.2
    n-butanol 4.32
    acetonitrile 1.93
    DMF 32.23
    toluene 2.78
    isobutanol 3.84
    1,4-dioxane 14.4
    methyl acetate 5.47
    THF 42.61
    2-butanone 8.03
    n-pentanol 4.27
    sec-butanol 3.7
    n-hexane 0.44
    ethylene glycol 4.85
    NMP 126.62
    cyclohexane 1.82
    DMSO 128.02
    n-butyl acetate 5.72
    n-octanol 5.57
    chloroform 11.02
    n-propyl acetate 6.31
    acetic acid 37.17
    dichloromethane 10.88
    cyclohexanone 35.02
    propylene glycol 7.16
    isopropyl acetate 6.65
    DMAc 69.73
    2-ethoxyethanol 19.86
    isopentanol 4.31
    n-heptane 0.64
    ethyl formate 7.61
    1,2-dichloroethane 9.28
    n-hexanol 3.78
    2-methoxyethanol 31.87
    isobutyl acetate 4.43
    tetrachloromethane 4.7
    n-pentyl acetate 13.4
    transcutol 91.7
    n-heptanol 7.24
    ethylbenzene 2.37
    MIBK 6.6
    2-propoxyethanol 16.56
    tert-butanol 4.19
    MTBE 3.58
    2-butoxyethanol 28.9
    propionic acid 13.88
    o-xylene 4.28
    formic acid 35.59
    diethyl ether 2.3
    m-xylene 2.8
    p-xylene 2.98
    chlorobenzene 3.95
    dimethyl carbonate 10.45
    n-octane 0.5
    formamide 40.52
    cyclopentanone 44.35
    2-pentanone 7.56
    anisole 4.99
    cyclopentyl methyl ether 19.84
    gamma-butyrolactone 56.29
    1-methoxy-2-propanol 21.79
    pyridine 11.48
    3-pentanone 7.6
    furfural 46.96
    n-dodecane 0.27
    diethylene glycol 16.83
    diisopropyl ether 1.54
    tert-amyl alcohol 6.18
    acetylacetone 21.49
    n-hexadecane 0.31
    acetophenone 12.16
    methyl propionate 9.5
    isopentyl acetate 7.21
    trichloroethylene 19.57
    n-nonanol 5.72
    cyclohexanol 11.36
    benzyl alcohol 8.14
    2-ethylhexanol 3.66
    isooctanol 6.52
    dipropyl ether 3.86
    1,2-dichlorobenzene 6.13
    ethyl lactate 11.36
    propylene carbonate 29.92
    n-methylformamide 19.78
    2-pentanol 2.73
    n-pentane 0.36
    1-propoxy-2-propanol 14.11
    1-methoxy-2-propyl acetate 15.5
    2-(2-methoxypropoxy) propanol 20.68
    mesitylene 2.25
    ε-caprolactone 40.17
    p-cymene 2.55
    epichlorohydrin 30.37
    1,1,1-trichloroethane 7.81
    2-aminoethanol 10.31
    morpholine-4-carbaldehyde 66.93
    sulfolane 189.06
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 19.8
    n-hexyl acetate 12.93
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 33.43
    sec-butyl acetate 5.32
    tert-butyl acetate 12.12
    decalin 1.09
    glycerin 22.77
    diglyme 62.62
    acrylic acid 17.08
    isopropyl myristate 3.63
    n-butyric acid 19.01
    acetyl acetate 9.53
    di(2-ethylhexyl) phthalate 7.52
    ethyl propionate 6.61
    nitromethane 37.39
    1,2-diethoxyethane 11.04
    benzonitrile 5.33
    trioctyl phosphate 5.99
    1-bromopropane 2.73
    gamma-valerolactone 79.48
    n-decanol 3.41
    triethyl phosphate 9.26
    4-methyl-2-pentanol 2.5
    propionitrile 1.93
    vinylene carbonate 24.1
    1,1,2-trichlorotrifluoroethane 65.43
    DMS 12.32
    cumene 2.2
    2-octanol 4.54
    2-hexanone 5.93
    octyl acetate 5.98
    limonene 4.04
    1,2-dimethoxyethane 21.02
    ethyl orthosilicate 8.73
    tributyl phosphate 6.92
    diacetone alcohol 24.26
    N,N-dimethylaniline 6.54
    acrylonitrile 3.32
    aniline 6.5
    1,3-propanediol 13.15
    bromobenzene 3.46
    dibromomethane 6.31
    1,1,2,2-tetrachloroethane 22.33
    2-methyl-cyclohexyl acetate 10.86
    tetrabutyl urea 10.17
    diisobutyl methanol 2.62
    2-phenylethanol 6.88
    styrene 2.21
    dioctyl adipate 9.1
    dimethyl sulfate 39.59
    ethyl butyrate 7.08
    methyl lactate 19.39
    butyl lactate 21.92
    diethyl carbonate 5.27
    propanediol butyl ether 28.06
    triethyl orthoformate 9.63
    p-tert-butyltoluene 2.67
    methyl 4-tert-butylbenzoate 23.5
    morpholine 22.52
    tert-butylamine 2.13
    n-dodecanol 2.15
    dimethoxymethane 18.02
    ethylene carbonate 19.99
    cyrene 39.03
    2-ethoxyethyl acetate 21.21
    2-ethylhexyl acetate 5.86
    1,2,4-trichlorobenzene 9.1
    4-methylpyridine 7.54
    dibutyl ether 3.93
    2,6-dimethyl-4-heptanol 2.62
    DEF 18.35
    dimethyl isosorbide 45.9
    tetrachloroethylene 20.56
    eugenol 21.58
    triacetin 26.76
    span 80 20.63
    1,4-butanediol 5.91
    1,1-dichloroethane 4.52
    2-methyl-1-pentanol 5.06
    methyl formate 15.56
    2-methyl-1-butanol 5.06
    n-decane 0.61
    butyronitrile 2.14
    3,7-dimethyl-1-octanol 4.42
    1-chlorooctane 2.68
    1-chlorotetradecane 0.83
    n-nonane 0.55
    undecane 0.38
    tert-butylcyclohexane 0.69
    cyclooctane 0.82
    cyclopentanol 14.65
    tetrahydropyran 11.72
    tert-amyl methyl ether 5.05
    2,5,8-trioxanonane 38.97
    1-hexene 1.09
    2-isopropoxyethanol 12.71
    2,2,2-trifluoroethanol 29.28
    methyl butyrate 9.83

    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