Cerebroside B

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  • Identifiers

    CAS number
    88642-46-0

    Molecular formula
    C41H77NO9

    SMILES
    CCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C(\C)/CCCCCCCCC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.68%
    Waxy 36.15%
    Oily 35.03%
    Fatty 30.2%
    Citrus 26.3%
    Fresh 25.14%
    Savory 24.84%
    Milky 24.25%
    Herbal 22.52%
    Lactonic 21.78%

     

    Flavor
    Bland 34.66%
    Mild 31.49%
    Odorless 30.93%
    Waxy 25.58%
    Faint 22.32%
    Bitter 22.02%
    Slightly waxy 20.91%
    Fatty 20.9%
    Delicate 20.81%
    Herbal 20.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.2

    pKa est.
    7.38 (neutral)

    Molecular weight
    728.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2502°C

    Flash point

    • 249.23 ˚C est.

  • Synonyms

    • Cerebroside B
    • RefChem:918248
    • N-(2-hydroxy-hexadecanoyl)-1-beta-glucosyl-9-methyl-sphinga-4E,8E-dienine
    • 88642-46-0
    • (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
    • CerebrosideB
    • [(2S,3R,4E,8E)-2-[[(2R)-2-Hydroxyhexadecanoyl]amino]-3-hydroxy-9-methyl-4,8-octadecadienyl]beta-D-glucopyranoside
    • SCHEMBL161980
    • CHEMBL538217
    • orb1684710
    • CHEBI:172811
    • DTXSID201104435
    • GLXC-18815
    • HY-N3570
    • AKOS040760319
    • 1-O-beta-d-glucopyranosyl-(2s,3r,4e,8e)-2-[(2r)-2-hydroxyhexadecanoylamino]-9-methyl-4,8-octadecadiene-1,3-diol
    • MS-31257
    • PD167425
    • CS-0023857
    • H64003
    • (2R)-N-[(1S,2R,3E,7E)-1-[(I(2)-D-Glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7-heptadecadien-1-yl]-2-hydroxyhexadecanamide
    • [(2S,3R,4E,8E)-2-[[(2R)-2-Hydroxyhexadecanoyl]amino]-3-hydroxy-9-methyl-4,8-octadecadienyl]|A-D-glucopyranoside
    • 88642-46-0

  • Applications

    Cerebroside B (CAS 88642-46-0) is a glycosphingolipid that is primarily employed as a research reagent in membrane biology and lipidomics, providing a model substrate for studying glycosphingolipid metabolism, enzymatic pathways, and lipid trafficking. In analytical chemistry, it serves as a reference material or standard for LC-MS and lipid analysis workflows. In cosmetics and personal care, glycosphingolipids related to skin lipids are commonly evaluated as components to mimic natural skin lipid composition, and Cerebroside B may be considered for formulation studies as a ceramide-like ingredient. In pharmaceutical R&D, it is used as a tool compound for enzymatic assays of glycosidases and ceramidases and for enzyme kinetics. It also functions as a synthetic building block or scaffold for the preparation of more complex glycolipids for research. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.01
    methanol 9.55
    isopropanol 1.64
    water 0.41
    ethyl acetate 4.11
    n-propanol 3.38
    acetone 7.46
    n-butanol 2.42
    acetonitrile 1.53
    DMF 22.84
    toluene 2.07
    isobutanol 1.92
    1,4-dioxane 9.38
    methyl acetate 4.47
    THF 22.18
    2-butanone 6.78
    n-pentanol 2.56
    sec-butanol 2.2
    n-hexane 0.22
    ethylene glycol 1.98
    NMP 59.59
    cyclohexane 0.42
    DMSO 39.09
    n-butyl acetate 2.12
    n-octanol 3.06
    chloroform 6.87
    n-propyl acetate 3.03
    acetic acid 21.33
    dichloromethane 6.18
    cyclohexanone 15.79
    propylene glycol 3.79
    isopropyl acetate 3.42
    DMAc 49.93
    2-ethoxyethanol 10.77
    isopentanol 1.76
    n-heptane 0.28
    ethyl formate 4.02
    1,2-dichloroethane 4.07
    n-hexanol 1.53
    2-methoxyethanol 13.79
    isobutyl acetate 2.01
    tetrachloromethane 1.67
    n-pentyl acetate 6.29
    transcutol 33.94
    n-heptanol 3.17
    ethylbenzene 1.4
    MIBK 3.34
    2-propoxyethanol 7.75
    tert-butanol 1.9
    MTBE 2.16
    2-butoxyethanol 11.14
    propionic acid 7.14
    o-xylene 2.27
    formic acid 14.23
    diethyl ether 1.92
    m-xylene 1.78
    p-xylene 1.52
    chlorobenzene 2.09
    dimethyl carbonate 6.61
    n-octane 0.24
    formamide 14.81
    cyclopentanone 21.62
    2-pentanone 5.41
    anisole 3.11
    cyclopentyl methyl ether 8.5
    gamma-butyrolactone 24.21
    1-methoxy-2-propanol 10.8
    pyridine 6.84
    3-pentanone 5.28
    furfural 19.39
    n-dodecane 0.16
    diethylene glycol 6.64
    diisopropyl ether 0.7
    tert-amyl alcohol 2.82
    acetylacetone 12.04
    n-hexadecane 0.18
    acetophenone 6.2
    methyl propionate 6.31
    isopentyl acetate 2.39
    trichloroethylene 9.79
    n-nonanol 3.25
    cyclohexanol 3.7
    benzyl alcohol 4.4
    2-ethylhexanol 1.22
    isooctanol 2.54
    dipropyl ether 1.87
    1,2-dichlorobenzene 2.63
    ethyl lactate 4.85
    propylene carbonate 11.23
    n-methylformamide 11.34
    2-pentanol 1.53
    n-pentane 0.21
    1-propoxy-2-propanol 5.93
    1-methoxy-2-propyl acetate 6.43
    2-(2-methoxypropoxy) propanol 10.29
    mesitylene 1.07
    ε-caprolactone 16.77
    p-cymene 0.95
    epichlorohydrin 16.33
    1,1,1-trichloroethane 3.47
    2-aminoethanol 4.3
    morpholine-4-carbaldehyde 35.19
    sulfolane 62.38
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 8.75
    n-hexyl acetate 6.39
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 14.23
    sec-butyl acetate 2.5
    tert-butyl acetate 4.69
    decalin 0.32
    glycerin 9.11
    diglyme 24.6
    acrylic acid 9.19
    isopropyl myristate 1.92
    n-butyric acid 8.12
    acetyl acetate 5.18
    di(2-ethylhexyl) phthalate 3.41
    ethyl propionate 3.21
    nitromethane 22.53
    1,2-diethoxyethane 5.9
    benzonitrile 2.51
    trioctyl phosphate 2.56
    1-bromopropane 1.66
    gamma-valerolactone 39.62
    n-decanol 1.94
    triethyl phosphate 2.59
    4-methyl-2-pentanol 1.01
    propionitrile 1.53
    vinylene carbonate 10.36
    1,1,2-trichlorotrifluoroethane 29.18
    DMS 5.87
    cumene 1.1
    2-octanol 2.17
    2-hexanone 3.91
    octyl acetate 3.35
    limonene 1.47
    1,2-dimethoxyethane 11.03
    ethyl orthosilicate 2.54
    tributyl phosphate 2.43
    diacetone alcohol 9.57
    N,N-dimethylaniline 3.71
    acrylonitrile 2.64
    aniline 3.56
    1,3-propanediol 5.24
    bromobenzene 1.85
    dibromomethane 3.27
    1,1,2,2-tetrachloroethane 10.33
    2-methyl-cyclohexyl acetate 3.45
    tetrabutyl urea 4.21
    diisobutyl methanol 0.76
    2-phenylethanol 3.14
    styrene 1.29
    dioctyl adipate 4.39
    dimethyl sulfate 20.1
    ethyl butyrate 2.57
    methyl lactate 11.07
    butyl lactate 8.74
    diethyl carbonate 1.65
    propanediol butyl ether 12.35
    triethyl orthoformate 3.02
    p-tert-butyltoluene 1.0
    methyl 4-tert-butylbenzoate 10.79
    morpholine 13.45
    tert-butylamine 0.85
    n-dodecanol 1.18
    dimethoxymethane 12.68
    ethylene carbonate 7.93
    cyrene 19.01
    2-ethoxyethyl acetate 11.13
    2-ethylhexyl acetate 1.99
    1,2,4-trichlorobenzene 4.09
    4-methylpyridine 5.5
    dibutyl ether 2.22
    2,6-dimethyl-4-heptanol 0.76
    DEF 10.5
    dimethyl isosorbide 16.22
    tetrachloroethylene 8.08
    eugenol 9.31
    triacetin 12.87
    span 80 10.66
    1,4-butanediol 3.04
    1,1-dichloroethane 2.62
    2-methyl-1-pentanol 2.31
    methyl formate 9.66
    2-methyl-1-butanol 2.21
    n-decane 0.35
    butyronitrile 1.38
    3,7-dimethyl-1-octanol 1.94
    1-chlorooctane 1.48
    1-chlorotetradecane 0.47
    n-nonane 0.3
    undecane 0.22
    tert-butylcyclohexane 0.23
    cyclooctane 0.25
    cyclopentanol 5.17
    tetrahydropyran 6.26
    tert-amyl methyl ether 2.9
    2,5,8-trioxanonane 16.07
    1-hexene 0.66
    2-isopropoxyethanol 6.72
    2,2,2-trifluoroethanol 11.52
    methyl butyrate 4.46

    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