N-Hexanoylsphingosine

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  • Identifiers

    CAS number
    124753-97-5

    Molecular formula
    C24H47NO3

    SMILES
    CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 35.42%
    Oily 34.37%
    Savory 32.9%
    Fatty 31.27%
    Odorless 31.22%
    Meaty 30.23%
    Waxy 29.95%
    Citrus 28.32%
    Cooling 25.88%
    Mint 25.57%

     

    Flavor
    Bland 33.26%
    Mild 30.75%
    Odorless 30.74%
    Herbal 27.0%
    Faint 24.59%
    Waxy 22.57%
    Slightly waxy 21.31%
    Delicate 20.95%
    Fatty 20.37%
    Bay oil 20.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    7.26 (neutral)

    Molecular weight
    397.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    523°C

    Flash point

    • 224.63 ˚C est.

  • Synonyms

    • N-hexanoylsphingosine
    • 124753-97-5
    • C6-ceramide
    • C(6)-ceramide
    • N-caproylsphingosine
    • N-hexanoyl-D-erythro-sphingosine
    • 038753E78J
    • CAPROOYL SPHINGOSINE
    • DTXSID90924923
    • NSC-655091
    • RefChem:830075
    • DTXCID701763894
    • C6 ceramide
    • Ceramid 6
    • C6-Cer
    • Hexanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-
    • N-Hexanoyl-D-eythro-spingosine
    • UNII-038753E78J
    • N-((2S,3R,E)-1,3-dihydroxyoctadec-4-en-2-yl)hexanamide
    • N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexanamide
    • NSC 655091
    • N-(hexanoyl)sphing-4-enine
    • D-erythro-N-hexanoylsphingosine
    • Cer(d18:1/6:0)
    • N-(2-Hydroxy-1-(hydroxymethyl)-3-heptadecenyl)hexanamide
    • N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]hexanamide
    • C24H47NO3
    • N-((E,2s,3r)-1,3-Dihydroxyoctadec-4-En-2-Yl)hexanamide
    • MFCD00870174
    • SR-05000002364
    • 6-hexanoyl-d-erythro-sphingosine
    • HEXANAMIDE, N-((1S,2R,3E)-2-HYDROXY-1-(HYDROXYMETHYL)-3-HEPTADECEN-1-YL)-
    • C-6 Ceramide
    • 6CM
    • CHEMBL224877
    • orb1688154
    • SCHEMBL13587660
    • CHEBI:63867
    • N-CAPROYL-C18-SPHINGOSINE
    • HMS3649E07
    • HSCI1_000109
    • AKOS037647257
    • CCG-208164
    • SMP2_000293
    • NCGC00163521-01
    • AS-73035
    • BP-28809
    • HY-19542
    • CS-0015638
    • NS00013430
    • F82077
    • F600953
    • N-Hexanoyl-D-sphingosine, >=98% (TLC), synthetic
    • SR-05000002364-2
    • SR-05000002364-3
    • Q27132875
    • C6 Ceramide (d18:1/6:0), N-hexanoyl-D-erythro-sphingosine, powder
    • N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]hexanamide
    • N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexanamide
    • HEXANAMIDE, N-((1S,2R,3E)-2-HYDROXY-1-(HYDROXYMETHYL)-3-HEPTADECENYL)-
    • HEXANAMIDE, N-(2-HYDROXY-1-(HYDROXYMETHYL)-3-HEPTADECENYL)-, (R-(R*,S*-(E)))-
    • 124753-97-5

  • Applications

    N-Hexanoylsphingosine (CAS number: 124753-97-5) is a short-chain ceramide used primarily in research and formulation work as a lipid-like bioactive sphingolipid. It serves as a tool compound for studying sphingolipid metabolism and ceramide signaling in cell-based assays; as an intermediate in lipid-chemistry synthesis and in the preparation of ceramide-related compounds; as a potential cosmetic/personal-care ingredient evaluated as a ceramide-like lipid to support skin-barrier formulations; as a pharmaceutical/biomedical research tool for investigating apoptosis and other lipid signaling pathways; and as a model lipid for formulation studies in academic and industrial settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.82
    methanol 35.47
    isopropanol 13.85
    water 0.21
    ethyl acetate 45.37
    n-propanol 20.08
    acetone 53.02
    n-butanol 21.09
    acetonitrile 11.61
    DMF 112.92
    toluene 16.72
    isobutanol 18.22
    1,4-dioxane 63.27
    methyl acetate 36.32
    THF 214.28
    2-butanone 57.16
    n-pentanol 21.05
    sec-butanol 21.51
    n-hexane 2.83
    ethylene glycol 2.91
    NMP 303.82
    cyclohexane 12.49
    DMSO 224.4
    n-butyl acetate 52.55
    n-octanol 25.2
    chloroform 98.56
    n-propyl acetate 59.77
    acetic acid 54.1
    dichloromethane 101.83
    cyclohexanone 197.37
    propylene glycol 8.58
    isopropyl acetate 48.49
    DMAc 289.23
    2-ethoxyethanol 56.05
    isopentanol 27.49
    n-heptane 3.25
    ethyl formate 31.43
    1,2-dichloroethane 82.76
    n-hexanol 17.71
    2-methoxyethanol 61.01
    isobutyl acetate 41.34
    tetrachloromethane 27.44
    n-pentyl acetate 91.34
    transcutol 324.92
    n-heptanol 26.55
    ethylbenzene 15.55
    MIBK 55.12
    2-propoxyethanol 53.76
    tert-butanol 30.78
    MTBE 36.56
    2-butoxyethanol 82.35
    propionic acid 36.85
    o-xylene 21.53
    formic acid 19.5
    diethyl ether 20.86
    m-xylene 15.36
    p-xylene 21.82
    chlorobenzene 31.33
    dimethyl carbonate 26.59
    n-octane 2.29
    formamide 32.44
    cyclopentanone 201.17
    2-pentanone 57.66
    anisole 33.25
    cyclopentyl methyl ether 87.16
    gamma-butyrolactone 192.56
    1-methoxy-2-propanol 62.02
    pyridine 64.2
    3-pentanone 52.35
    furfural 132.48
    n-dodecane 1.49
    diethylene glycol 28.37
    diisopropyl ether 12.01
    tert-amyl alcohol 38.13
    acetylacetone 91.6
    n-hexadecane 1.76
    acetophenone 59.41
    methyl propionate 47.41
    isopentyl acetate 59.71
    trichloroethylene 150.47
    n-nonanol 25.66
    cyclohexanol 51.16
    benzyl alcohol 29.57
    2-ethylhexanol 19.41
    isooctanol 27.38
    dipropyl ether 26.21
    1,2-dichlorobenzene 41.16
    ethyl lactate 38.5
    propylene carbonate 106.81
    n-methylformamide 38.63
    2-pentanol 17.59
    n-pentane 2.0
    1-propoxy-2-propanol 54.4
    1-methoxy-2-propyl acetate 71.5
    2-(2-methoxypropoxy) propanol 71.22
    mesitylene 12.57
    ε-caprolactone 174.05
    p-cymene 13.56
    epichlorohydrin 156.12
    1,1,1-trichloroethane 80.91
    2-aminoethanol 11.71
    morpholine-4-carbaldehyde 162.1
    sulfolane 410.92
    2,2,4-trimethylpentane 4.19
    2-methyltetrahydrofuran 121.2
    n-hexyl acetate 86.21
    isooctane 1.84
    2-(2-butoxyethoxy)ethanol 103.06
    sec-butyl acetate 48.24
    tert-butyl acetate 76.59
    decalin 6.7
    glycerin 19.78
    diglyme 216.32
    acrylic acid 30.28
    isopropyl myristate 25.59
    n-butyric acid 73.84
    acetyl acetate 39.45
    di(2-ethylhexyl) phthalate 30.87
    ethyl propionate 49.61
    nitromethane 90.57
    1,2-diethoxyethane 73.51
    benzonitrile 29.74
    trioctyl phosphate 23.71
    1-bromopropane 31.7
    gamma-valerolactone 263.71
    n-decanol 15.83
    triethyl phosphate 37.69
    4-methyl-2-pentanol 16.74
    propionitrile 15.09
    vinylene carbonate 79.88
    1,1,2-trichlorotrifluoroethane 156.77
    DMS 47.65
    cumene 13.34
    2-octanol 21.12
    2-hexanone 56.92
    octyl acetate 35.55
    limonene 22.83
    1,2-dimethoxyethane 109.68
    ethyl orthosilicate 38.86
    tributyl phosphate 30.32
    diacetone alcohol 99.33
    N,N-dimethylaniline 33.11
    acrylonitrile 17.78
    aniline 25.32
    1,3-propanediol 22.8
    bromobenzene 31.3
    dibromomethane 58.16
    1,1,2,2-tetrachloroethane 159.37
    2-methyl-cyclohexyl acetate 57.13
    tetrabutyl urea 47.76
    diisobutyl methanol 15.77
    2-phenylethanol 28.03
    styrene 16.07
    dioctyl adipate 51.69
    dimethyl sulfate 74.83
    ethyl butyrate 52.86
    methyl lactate 38.53
    butyl lactate 78.3
    diethyl carbonate 30.86
    propanediol butyl ether 71.53
    triethyl orthoformate 49.73
    p-tert-butyltoluene 13.62
    methyl 4-tert-butylbenzoate 82.58
    morpholine 99.23
    tert-butylamine 16.59
    n-dodecanol 10.62
    dimethoxymethane 60.16
    ethylene carbonate 70.57
    cyrene 90.24
    2-ethoxyethyl acetate 112.95
    2-ethylhexyl acetate 48.85
    1,2,4-trichlorobenzene 56.34
    4-methylpyridine 55.04
    dibutyl ether 35.82
    2,6-dimethyl-4-heptanol 15.77
    DEF 103.45
    dimethyl isosorbide 145.3
    tetrachloroethylene 110.18
    eugenol 71.87
    triacetin 107.23
    span 80 66.69
    1,4-butanediol 11.06
    1,1-dichloroethane 55.52
    2-methyl-1-pentanol 28.5
    methyl formate 29.35
    2-methyl-1-butanol 27.46
    n-decane 3.42
    butyronitrile 18.86
    3,7-dimethyl-1-octanol 25.68
    1-chlorooctane 18.79
    1-chlorotetradecane 5.46
    n-nonane 3.07
    undecane 2.09
    tert-butylcyclohexane 4.92
    cyclooctane 3.42
    cyclopentanol 53.85
    tetrahydropyran 90.81
    tert-amyl methyl ether 41.38
    2,5,8-trioxanonane 122.96
    1-hexene 9.55
    2-isopropoxyethanol 47.23
    2,2,2-trifluoroethanol 32.3
    methyl butyrate 77.29

    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