2-(Benzylsulfonyl)-1-(morpholin-4-yl)ethanone

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  • Identifiers

    CAS number
    1709-88-2

    Molecular formula
    C13H17NO4S

    SMILES
    C1COCCN1C(=O)CS(=O)(=O)CC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.3%
    Cooked 30.72%
    Roasted 30.34%
    Nutty 26.9%
    Savory 25.94%
    Sweet 24.75%
    Meaty 24.54%
    Popcorn 23.21%
    Burnt 21.37%
    Fruity 19.34%

     

    Flavor
    Bitter 60.83%
    Roasted 22.2%
    Odorless 21.45%
    Taco 21.0%
    Nitrile 20.81%
    Roasted peanuts 20.5%
    Bread crust 20.3%
    Cooked 20.1%
    Scallion 20.04%
    Gooseberry 19.31%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    4.95 (weak acid)

    Molecular weight
    283.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    556°C

    Flash point

    • 231.24 ˚C est.

  • Synonyms

    • 2-(benzylsulfonyl)-1-(morpholin-4-yl)ethanone
    • 1709-88-2
    • 8049-47-6
    • beefviokase
    • NSC140314
    • PANCREATIN
    • DTXSID40300990
    • NSC-140314
    • Pancreatin, from porcine stomach mucose
    • 2-benzylsulfonyl-1-morpholin-4-yl-ethanone
    • DS-012999
    • A811368
    • 1-(4-morpholinyl)-2-(phenylmethyl)sulfonylethanone
    • 1-morpholin-4-yl-2-(phenylmethyl)sulfonyl-ethanone
    • 1-(Morpholin-4-yl)-2-(phenylmethanesulfonyl)ethan-1-one
    • 8049-47-6

  • Applications

    2-(Benzylsulfonyl)-1-(morpholin-4-yl)ethanone (CAS 1709-88-2) is typically used as a synthetic intermediate in pharmaceutical development, serving as a building block for morpholine-containing pharmacophores and sulfonyl motifs. It may also be employed in small-scale organic synthesis and in contract or custom synthesis programs to furnish specialty chemicals. In industrial settings, it can function as a precursor for further functionalization to yield diverse ketone–morpholine derivatives. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.31
    methanol 15.35
    isopropanol 1.49
    water 0.77
    ethyl acetate 10.07
    n-propanol 2.4
    acetone 26.71
    n-butanol 1.6
    acetonitrile 36.46
    DMF 111.42
    toluene 2.23
    isobutanol 1.56
    1,4-dioxane 21.79
    methyl acetate 16.94
    THF 33.17
    2-butanone 14.98
    n-pentanol 1.45
    sec-butanol 1.22
    n-hexane 0.06
    ethylene glycol 8.1
    NMP 115.84
    cyclohexane 0.42
    DMSO 181.45
    n-butyl acetate 7.38
    n-octanol 1.51
    chloroform 44.98
    n-propyl acetate 7.27
    acetic acid 25.47
    dichloromethane 59.15
    cyclohexanone 32.81
    propylene glycol 4.69
    isopropyl acetate 5.2
    DMAc 138.86
    2-ethoxyethanol 14.38
    isopentanol 1.71
    n-heptane 0.17
    ethyl formate 16.85
    1,2-dichloroethane 34.87
    n-hexanol 2.0
    2-methoxyethanol 36.81
    isobutyl acetate 4.09
    tetrachloromethane 2.02
    n-pentyl acetate 3.18
    transcutol 55.45
    n-heptanol 1.2
    ethylbenzene 1.85
    MIBK 5.25
    2-propoxyethanol 15.23
    tert-butanol 2.03
    MTBE 1.0
    2-butoxyethanol 6.69
    propionic acid 10.67
    o-xylene 2.54
    formic acid 34.73
    diethyl ether 1.89
    m-xylene 1.74
    p-xylene 2.65
    chlorobenzene 10.13
    dimethyl carbonate 12.39
    n-octane 0.08
    formamide 66.85
    cyclopentanone 47.77
    2-pentanone 7.83
    anisole 8.57
    cyclopentyl methyl ether 6.63
    gamma-butyrolactone 66.07
    1-methoxy-2-propanol 14.05
    pyridine 30.72
    3-pentanone 9.71
    furfural 87.24
    n-dodecane 0.12
    diethylene glycol 26.62
    diisopropyl ether 0.54
    tert-amyl alcohol 1.62
    acetylacetone 26.72
    n-hexadecane 0.15
    acetophenone 17.0
    methyl propionate 13.53
    isopentyl acetate 6.63
    trichloroethylene 72.72
    n-nonanol 1.63
    cyclohexanol 3.11
    benzyl alcohol 9.66
    2-ethylhexanol 2.07
    isooctanol 1.18
    dipropyl ether 2.61
    1,2-dichlorobenzene 13.63
    ethyl lactate 10.61
    propylene carbonate 33.75
    n-methylformamide 45.25
    2-pentanol 0.68
    n-pentane 0.05
    1-propoxy-2-propanol 9.44
    1-methoxy-2-propyl acetate 15.65
    2-(2-methoxypropoxy) propanol 18.64
    mesitylene 1.29
    ε-caprolactone 26.33
    p-cymene 2.42
    epichlorohydrin 62.54
    1,1,1-trichloroethane 11.89
    2-aminoethanol 7.64
    morpholine-4-carbaldehyde 85.78
    sulfolane 102.57
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 10.33
    n-hexyl acetate 4.45
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 17.35
    sec-butyl acetate 3.9
    tert-butyl acetate 5.47
    decalin 0.3
    glycerin 19.63
    diglyme 39.56
    acrylic acid 17.95
    isopropyl myristate 2.62
    n-butyric acid 9.99
    acetyl acetate 14.21
    di(2-ethylhexyl) phthalate 6.11
    ethyl propionate 7.74
    nitromethane 105.55
    1,2-diethoxyethane 8.4
    benzonitrile 18.71
    trioctyl phosphate 3.05
    1-bromopropane 4.75
    gamma-valerolactone 73.16
    n-decanol 1.33
    triethyl phosphate 8.44
    4-methyl-2-pentanol 0.82
    propionitrile 13.55
    vinylene carbonate 37.42
    1,1,2-trichlorotrifluoroethane 62.27
    DMS 12.79
    cumene 1.52
    2-octanol 0.66
    2-hexanone 6.21
    octyl acetate 3.35
    limonene 2.89
    1,2-dimethoxyethane 33.3
    ethyl orthosilicate 6.27
    tributyl phosphate 5.19
    diacetone alcohol 11.4
    N,N-dimethylaniline 7.32
    acrylonitrile 28.58
    aniline 7.39
    1,3-propanediol 7.97
    bromobenzene 8.97
    dibromomethane 24.59
    1,1,2,2-tetrachloroethane 47.81
    2-methyl-cyclohexyl acetate 9.7
    tetrabutyl urea 9.51
    diisobutyl methanol 1.44
    2-phenylethanol 8.98
    styrene 2.71
    dioctyl adipate 7.58
    dimethyl sulfate 37.04
    ethyl butyrate 8.72
    methyl lactate 19.25
    butyl lactate 6.53
    diethyl carbonate 9.05
    propanediol butyl ether 7.73
    triethyl orthoformate 7.4
    p-tert-butyltoluene 1.88
    methyl 4-tert-butylbenzoate 13.01
    morpholine 23.62
    tert-butylamine 0.82
    n-dodecanol 1.09
    dimethoxymethane 25.64
    ethylene carbonate 25.97
    cyrene 30.16
    2-ethoxyethyl acetate 8.18
    2-ethylhexyl acetate 5.47
    1,2,4-trichlorobenzene 18.49
    4-methylpyridine 17.99
    dibutyl ether 2.02
    2,6-dimethyl-4-heptanol 1.44
    DEF 20.91
    dimethyl isosorbide 39.46
    tetrachloroethylene 24.58
    eugenol 14.94
    triacetin 14.72
    span 80 10.35
    1,4-butanediol 3.61
    1,1-dichloroethane 12.08
    2-methyl-1-pentanol 1.65
    methyl formate 42.19
    2-methyl-1-butanol 1.51
    n-decane 0.17
    butyronitrile 8.27
    3,7-dimethyl-1-octanol 2.12
    1-chlorooctane 0.92
    1-chlorotetradecane 0.52
    n-nonane 0.14
    undecane 0.14
    tert-butylcyclohexane 0.15
    cyclooctane 0.13
    cyclopentanol 5.08
    tetrahydropyran 7.97
    tert-amyl methyl ether 1.35
    2,5,8-trioxanonane 35.22
    1-hexene 0.38
    2-isopropoxyethanol 7.12
    2,2,2-trifluoroethanol 20.28
    methyl butyrate 11.7

    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