Dehydrophytosphingosine

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  • Identifiers

    CAS number
    3687-54-5

    Molecular formula
    C18H37NO3

    SMILES
    CCCCCCCCC/C=C/CCC[C@H]([C@H]([C@H](CO)N)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 41.17%
    Waxy 40.6%
    Odorless 33.4%
    Fatty 31.38%
    Citrus 29.5%
    Fresh 27.76%
    Sweet 25.54%
    Herbal 25.51%
    Fishy 25.04%
    Fruity 23.86%

     

    Flavor
    Mild 30.46%
    Odorless 28.39%
    Bland 27.44%
    Waxy 24.09%
    Faint 23.44%
    Delicate 21.42%
    Slightly waxy 21.05%
    Bay oil 20.26%
    Leathery 20.22%
    Yeasty 20.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.46 (neutral)

    Molecular weight
    315.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    425°C

    Flash point

    • 206.94 ˚C est.

  • Synonyms

    • Dehydrophytosphingosine
    • 4-hydroxy-8-sphingenine
    • 4R-hydroxysphing-8E-enine
    • CHEBI:20386
    • (E,2S,3S,4R)-2-aminooctadec-8-ene-1,3,4-triol
    • RefChem:131550
    • 3687-54-5
    • 8,9-didehydrophytosphingosine
    • SCHEMBL191662
    • (2S,3S,4R,8E)-2-aminooctadec-8-ene-1,3,4-triol
    • LMSP01030002
    • Q27109294
    • 3687-54-5

  • Applications

    Dehydrophytosphingosine (CAS 3687-54-5) is a sphingoid base commonly used as a precursor and component in the synthesis of ceramides and other sphingolipid-like lipids, with practical relevance across cosmetics/personal care (ceramide-containing formulations and moisturizing lipid systems), in pharmaceutical and life sciences research (a building block for sphingolipid-related compounds and lipid intermediates), in polymers/plastics (seen as a building block for lipid-like polymer materials or lipid-based additives in some polymer systems), and in coatings or surface-forming applications where lipid-inspired components may serve as additives or surface modifiers; actual use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.21
    methanol 160.2
    isopropanol 26.41
    water 0.87
    ethyl acetate 27.24
    n-propanol 37.7
    acetone 41.02
    n-butanol 36.24
    acetonitrile 8.65
    DMF 77.28
    toluene 8.48
    isobutanol 27.78
    1,4-dioxane 72.0
    methyl acetate 16.39
    THF 174.17
    2-butanone 24.89
    n-pentanol 29.22
    sec-butanol 22.73
    n-hexane 1.51
    ethylene glycol 15.96
    NMP 126.85
    cyclohexane 7.15
    DMSO 442.24
    n-butyl acetate 26.16
    n-octanol 20.31
    chloroform 28.81
    n-propyl acetate 29.29
    acetic acid 102.99
    dichloromethane 28.39
    cyclohexanone 104.59
    propylene glycol 28.55
    isopropyl acetate 29.78
    DMAc 108.66
    2-ethoxyethanol 113.55
    isopentanol 42.21
    n-heptane 2.7
    ethyl formate 25.06
    1,2-dichloroethane 29.29
    n-hexanol 28.32
    2-methoxyethanol 169.72
    isobutyl acetate 23.44
    tetrachloromethane 9.51
    n-pentyl acetate 35.23
    transcutol 321.06
    n-heptanol 31.54
    ethylbenzene 6.68
    MIBK 37.01
    2-propoxyethanol 91.79
    tert-butanol 49.11
    MTBE 24.88
    2-butoxyethanol 90.51
    propionic acid 40.74
    o-xylene 11.89
    formic acid 67.09
    diethyl ether 13.6
    m-xylene 10.58
    p-xylene 8.54
    chlorobenzene 12.08
    dimethyl carbonate 17.17
    n-octane 1.6
    formamide 76.72
    cyclopentanone 114.72
    2-pentanone 33.15
    anisole 17.55
    cyclopentyl methyl ether 65.64
    gamma-butyrolactone 123.04
    1-methoxy-2-propanol 114.87
    pyridine 32.14
    3-pentanone 21.93
    furfural 102.41
    n-dodecane 1.02
    diethylene glycol 81.47
    diisopropyl ether 8.44
    tert-amyl alcohol 39.0
    acetylacetone 68.93
    n-hexadecane 1.14
    acetophenone 32.76
    methyl propionate 26.03
    isopentyl acetate 31.96
    trichloroethylene 53.3
    n-nonanol 20.24
    cyclohexanol 55.38
    benzyl alcohol 29.97
    2-ethylhexanol 20.87
    isooctanol 28.64
    dipropyl ether 17.12
    1,2-dichlorobenzene 16.61
    ethyl lactate 33.9
    propylene carbonate 61.74
    n-methylformamide 47.03
    2-pentanol 20.54
    n-pentane 1.55
    1-propoxy-2-propanol 66.82
    1-methoxy-2-propyl acetate 55.41
    2-(2-methoxypropoxy) propanol 54.26
    mesitylene 9.3
    ε-caprolactone 97.06
    p-cymene 9.05
    epichlorohydrin 97.68
    1,1,1-trichloroethane 20.81
    2-aminoethanol 43.83
    morpholine-4-carbaldehyde 127.05
    sulfolane 272.81
    2,2,4-trimethylpentane 2.28
    2-methyltetrahydrofuran 73.4
    n-hexyl acetate 34.81
    isooctane 1.71
    2-(2-butoxyethoxy)ethanol 103.77
    sec-butyl acetate 22.13
    tert-butyl acetate 50.38
    decalin 3.56
    glycerin 70.86
    diglyme 197.8
    acrylic acid 36.09
    isopropyl myristate 11.79
    n-butyric acid 82.23
    acetyl acetate 28.13
    di(2-ethylhexyl) phthalate 19.83
    ethyl propionate 20.44
    nitromethane 108.11
    1,2-diethoxyethane 46.07
    benzonitrile 20.34
    trioctyl phosphate 16.82
    1-bromopropane 8.97
    gamma-valerolactone 189.99
    n-decanol 12.98
    triethyl phosphate 20.4
    4-methyl-2-pentanol 19.87
    propionitrile 8.56
    vinylene carbonate 42.57
    1,1,2-trichlorotrifluoroethane 143.44
    DMS 24.52
    cumene 7.37
    2-octanol 16.83
    2-hexanone 26.41
    octyl acetate 16.55
    limonene 14.01
    1,2-dimethoxyethane 113.89
    ethyl orthosilicate 21.83
    tributyl phosphate 17.62
    diacetone alcohol 93.19
    N,N-dimethylaniline 18.92
    acrylonitrile 11.68
    aniline 21.37
    1,3-propanediol 88.41
    bromobenzene 10.31
    dibromomethane 16.69
    1,1,2,2-tetrachloroethane 57.23
    2-methyl-cyclohexyl acetate 33.54
    tetrabutyl urea 23.13
    diisobutyl methanol 15.08
    2-phenylethanol 27.87
    styrene 6.18
    dioctyl adipate 25.58
    dimethyl sulfate 51.95
    ethyl butyrate 25.07
    methyl lactate 42.19
    butyl lactate 50.7
    diethyl carbonate 16.07
    propanediol butyl ether 74.11
    triethyl orthoformate 28.5
    p-tert-butyltoluene 9.77
    methyl 4-tert-butylbenzoate 50.47
    morpholine 100.05
    tert-butylamine 20.38
    n-dodecanol 8.8
    dimethoxymethane 67.49
    ethylene carbonate 42.41
    cyrene 80.2
    2-ethoxyethyl acetate 53.07
    2-ethylhexyl acetate 22.48
    1,2,4-trichlorobenzene 22.59
    4-methylpyridine 24.07
    dibutyl ether 14.13
    2,6-dimethyl-4-heptanol 15.08
    DEF 51.52
    dimethyl isosorbide 102.96
    tetrachloroethylene 53.29
    eugenol 50.28
    triacetin 54.79
    span 80 53.85
    1,4-butanediol 33.09
    1,1-dichloroethane 14.18
    2-methyl-1-pentanol 31.6
    methyl formate 33.79
    2-methyl-1-butanol 33.54
    n-decane 1.9
    butyronitrile 13.65
    3,7-dimethyl-1-octanol 19.69
    1-chlorooctane 8.1
    1-chlorotetradecane 2.9
    n-nonane 1.7
    undecane 1.3
    tert-butylcyclohexane 2.75
    cyclooctane 3.09
    cyclopentanol 60.51
    tetrahydropyran 57.84
    tert-amyl methyl ether 21.98
    2,5,8-trioxanonane 115.48
    1-hexene 4.23
    2-isopropoxyethanol 72.34
    2,2,2-trifluoroethanol 46.27
    methyl butyrate 36.16

    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