3-Dehydroxy ceramide 1

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  • Identifiers

    CAS number
    156170-27-3

    Molecular formula
    C66H125NO5

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 58.68%
    Fatty 55.61%
    Oily 42.83%
    Odorless 30.76%
    Savory 22.49%
    Fishy 21.89%
    Meaty 20.95%
    Woody 20.43%
    Sweet 18.01%
    Milky 17.42%

     

    Flavor
    Bland 33.42%
    Faint 31.86%
    Waxy 29.89%
    Mild 29.14%
    Fatty 24.94%
    Odorless 23.13%
    Slightly waxy 22.08%
    Delicate 21.3%
    Bay oil 19.85%
    Diterpene 19.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    26.2

    pKa est.
    -38082.59 (strong acid)

    Molecular weight
    1012.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1702°C

    Flash point

    • -250094.54 ˚C est.

  • Synonyms

    • 3-Dehydroxy ceramide 1
    • Ceramide eos
    • Ceramide eos [INCI]
    • CR0J8RN66K
    • 156170-27-3
    • 9,12-Octadecadienoic acid (9Z,12Z)-, 30-(((1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl)amino)-30-oxotriacontyl ester
    • 9,12-Octadecadienoic acid (9Z,12Z)-, 30-[[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]amino]-30-oxotriacontyl ester
    • RefChem:501053
    • UNII-CR0J8RN66K
    • [30-[[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-30-oxotriacontyl] (9Z,12Z)-octadeca-9,12-dienoate
    • N-(30-(9Z,12Z-octadecadienoyloxy)-triacontanoyl)-sphing-4-enine
    • N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine
    • N-[30-(9Z,12Z-octadecadienoyloxy)-triacontanoyl]-sphing-4-enine
    • Cer[EOS]
    • SCHEMBL18323046
    • CHEBI:34862
    • CJKGLEVYDCRGBX-FQYIUYQHSA-N
    • N-[30-(9Z,12Z-octadecadienoyloxy)triacontanoyl]-4-sphingenine
    • ceramide E(C30:0)OS(C18:1)
    • LMSP02040001
    • Q27116300
    • 30-{[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]amino}-30-oxotriacontyl (9Z,12Z)-octadeca-9,12-dienoate
    • 156170-27-3

  • Applications

    3-Dehydroxy ceramide 1 (CAS 156170-27-3) is a lipid-like ceramide derivative with potential applications across cosmetics, pharmaceuticals, and lipid research. In cosmetics and personal care, it is considered a ceramide analog that can support the skin barrier and is used in moisturizers and liposome formulations. In pharmaceutical contexts, it may serve as an intermediate or building block for sphingolipid compounds and as a reference standard in lipidomics analyses. In coatings, inks, and polymer systems, it may be employed as a specialty lipid additive to influence moisture retention, lubricity, and film-forming properties of lipid-containing coatings. It is also evaluated in research as a lipid standard or model compound for sphingolipid pathways, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.83
    methanol 4.42
    isopropanol 3.81
    water 0.06
    ethyl acetate 38.78
    n-propanol 6.73
    acetone 25.15
    n-butanol 7.22
    acetonitrile 6.22
    DMF 57.44
    toluene 27.1
    isobutanol 6.15
    1,4-dioxane 42.94
    methyl acetate 27.16
    THF 137.67
    2-butanone 40.78
    n-pentanol 8.53
    sec-butanol 8.85
    n-hexane 5.04
    ethylene glycol 0.71
    NMP 278.16
    cyclohexane 13.29
    DMSO 60.7
    n-butyl acetate 32.68
    n-octanol 14.2
    chloroform 127.05
    n-propyl acetate 34.68
    acetic acid 22.43
    dichloromethane 111.92
    cyclohexanone 133.73
    propylene glycol 2.32
    isopropyl acetate 35.28
    DMAc 193.75
    2-ethoxyethanol 20.12
    isopentanol 8.26
    n-heptane 4.62
    ethyl formate 18.84
    1,2-dichloroethane 61.74
    n-hexanol 7.73
    2-methoxyethanol 17.49
    isobutyl acetate 23.06
    tetrachloromethane 30.18
    n-pentyl acetate 64.82
    transcutol 108.48
    n-heptanol 11.67
    ethylbenzene 19.98
    MIBK 28.98
    2-propoxyethanol 23.73
    tert-butanol 7.17
    MTBE 22.78
    2-butoxyethanol 35.7
    propionic acid 18.17
    o-xylene 27.09
    formic acid 5.63
    diethyl ether 16.81
    m-xylene 19.94
    p-xylene 24.18
    chlorobenzene 43.25
    dimethyl carbonate 27.6
    n-octane 3.0
    formamide 9.45
    cyclopentanone 151.06
    2-pentanone 38.69
    anisole 32.07
    cyclopentyl methyl ether 79.71
    gamma-butyrolactone 159.0
    1-methoxy-2-propanol 22.21
    pyridine 59.57
    3-pentanone 46.82
    furfural 106.62
    n-dodecane 1.67
    diethylene glycol 7.84
    diisopropyl ether 10.04
    tert-amyl alcohol 15.96
    acetylacetone 62.21
    n-hexadecane 1.98
    acetophenone 54.06
    methyl propionate 43.21
    isopentyl acetate 35.27
    trichloroethylene 150.82
    n-nonanol 16.0
    cyclohexanol 23.55
    benzyl alcohol 18.09
    2-ethylhexanol 11.12
    isooctanol 12.39
    dipropyl ether 24.24
    1,2-dichlorobenzene 57.09
    ethyl lactate 22.89
    propylene carbonate 95.19
    n-methylformamide 18.98
    2-pentanol 7.92
    n-pentane 3.14
    1-propoxy-2-propanol 28.25
    1-methoxy-2-propyl acetate 48.48
    2-(2-methoxypropoxy) propanol 42.31
    mesitylene 14.24
    ε-caprolactone 140.41
    p-cymene 14.22
    epichlorohydrin 130.82
    1,1,1-trichloroethane 91.55
    2-aminoethanol 2.68
    morpholine-4-carbaldehyde 116.44
    sulfolane 303.51
    2,2,4-trimethylpentane 5.14
    2-methyltetrahydrofuran 92.34
    n-hexyl acetate 62.4
    isooctane 1.85
    2-(2-butoxyethoxy)ethanol 46.09
    sec-butyl acetate 34.0
    tert-butyl acetate 49.72
    decalin 8.71
    glycerin 4.76
    diglyme 104.11
    acrylic acid 15.48
    isopropyl myristate 19.48
    n-butyric acid 34.1
    acetyl acetate 35.8
    di(2-ethylhexyl) phthalate 21.77
    ethyl propionate 40.6
    nitromethane 47.04
    1,2-diethoxyethane 46.72
    benzonitrile 21.92
    trioctyl phosphate 14.97
    1-bromopropane 37.33
    gamma-valerolactone 192.01
    n-decanol 9.71
    triethyl phosphate 34.81
    4-methyl-2-pentanol 6.79
    propionitrile 9.91
    vinylene carbonate 73.1
    1,1,2-trichlorotrifluoroethane 107.27
    DMS 43.26
    cumene 14.0
    2-octanol 11.89
    2-hexanone 37.38
    octyl acetate 26.28
    limonene 25.8
    1,2-dimethoxyethane 48.12
    ethyl orthosilicate 33.52
    tributyl phosphate 20.76
    diacetone alcohol 40.71
    N,N-dimethylaniline 33.23
    acrylonitrile 11.69
    aniline 22.35
    1,3-propanediol 5.0
    bromobenzene 52.77
    dibromomethane 66.62
    1,1,2,2-tetrachloroethane 157.33
    2-methyl-cyclohexyl acetate 44.69
    tetrabutyl urea 35.09
    diisobutyl methanol 8.42
    2-phenylethanol 16.07
    styrene 20.09
    dioctyl adipate 36.39
    dimethyl sulfate 76.57
    ethyl butyrate 41.73
    methyl lactate 24.55
    butyl lactate 50.11
    diethyl carbonate 24.57
    propanediol butyl ether 27.83
    triethyl orthoformate 44.49
    p-tert-butyltoluene 14.34
    methyl 4-tert-butylbenzoate 69.03
    morpholine 55.0
    tert-butylamine 5.58
    n-dodecanol 6.34
    dimethoxymethane 36.32
    ethylene carbonate 60.5
    cyrene 63.64
    2-ethoxyethyl acetate 76.22
    2-ethylhexyl acetate 35.51
    1,2,4-trichlorobenzene 77.8
    4-methylpyridine 55.48
    dibutyl ether 29.46
    2,6-dimethyl-4-heptanol 8.42
    DEF 69.19
    dimethyl isosorbide 103.93
    tetrachloroethylene 89.52
    eugenol 46.96
    triacetin 82.48
    span 80 39.94
    1,4-butanediol 3.16
    1,1-dichloroethane 53.7
    2-methyl-1-pentanol 11.88
    methyl formate 17.28
    2-methyl-1-butanol 10.57
    n-decane 4.1
    butyronitrile 10.85
    3,7-dimethyl-1-octanol 13.67
    1-chlorooctane 18.46
    1-chlorotetradecane 5.43
    n-nonane 3.74
    undecane 2.44
    tert-butylcyclohexane 5.9
    cyclooctane 6.22
    cyclopentanol 25.6
    tetrahydropyran 65.27
    tert-amyl methyl ether 34.55
    2,5,8-trioxanonane 60.42
    1-hexene 12.04
    2-isopropoxyethanol 18.27
    2,2,2-trifluoroethanol 16.69
    methyl butyrate 51.93

    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