S-Ethyl-L-cysteine sulfoxide

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  • Identifiers

    CAS number
    17795-08-3

    Molecular formula
    C5H11NO3S

    SMILES
    CCS(=O)C[C@@H](C(=O)O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 48.91%
    Meaty 46.67%
    Savory 42.0%
    Roasted 36.29%
    Sulfurous 35.9%
    Cooked 29.99%
    Onion 22.72%
    Beefy 19.82%
    Pungent 18.72%
    Alliaceous 18.37%

     

    Flavor
    Odorless 42.79%
    Roasted 30.73%
    Cooked 29.32%
    Sulfury 27.1%
    Mild 26.68%
    Bland 23.54%
    Sulfurous 22.55%
    Bitter 21.75%
    Yeast 20.76%
    Taco 20.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -4.0

    pKa est.
    6.11 (neutral)

    Molecular weight
    165.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    369°C

    Flash point

    • 184.52 ˚C est.

  • Synonyms

    • Ethiin
    • 17795-08-3
    • S-Ethyl-L-cysteine sulfoxide
    • S-Ethylcysteine sulfoxide
    • 2-amino-3-(ethanesulfinyl)propanoic acid
    • RefChem:931104
    • (2R)-2-amino-3-ethylsulfinylpropanoic acid
    • 3-(Ethylsulfinyl)-L-alanine
    • L-Alanine, 3-(ethylsulfinyl)-
    • 3-(Ethanesulfinyl)alanine
    • 3-(Ethanesulfinyl)-L-alanine
    • SCHEMBL1647018
    • DTXSID90939012
    • (+)-S-ethyl-L-cysteine sulfoxide
    • 2-azaniumyl-3-ethylsulfinylpropanoate
    • DB-326539
    • 17795-08-3

  • Applications

    S-Ethyl-L-cysteine sulfoxide (CAS 17795-08-3) is commonly viewed as a chiral building block and intermediate in pharmaceutical and agrochemical syntheses, and may serve as a precursor for sulfur-containing compounds used in specialty polymers or materials; in flavor and fragrance applications it can be explored as a sulfur-containing aroma precursor for garlic-like flavor systems; in cosmetics and personal care it could function as a fragrance source or odorant in formulations; in analytical chemistry and R&D it is used as an analytical reagent or reference standard; and it may serve as a precursor for sulfur-containing monomers in specialty materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.76
    methanol 4.19
    isopropanol 1.03
    water 181.21
    ethyl acetate 0.49
    n-propanol 0.93
    acetone 1.32
    n-butanol 0.84
    acetonitrile 0.8
    DMF 19.35
    toluene 0.28
    isobutanol 0.73
    1,4-dioxane 5.09
    methyl acetate 0.39
    THF 3.56
    2-butanone 0.51
    n-pentanol 0.76
    sec-butanol 0.68
    n-hexane 0.13
    ethylene glycol 21.08
    NMP 42.25
    cyclohexane 0.56
    DMSO 38.02
    n-butyl acetate 0.63
    n-octanol 0.73
    chloroform 0.25
    n-propyl acetate 0.36
    acetic acid 10.65
    dichloromethane 0.45
    cyclohexanone 4.83
    propylene glycol 7.77
    isopropyl acetate 0.5
    DMAc 18.17
    2-ethoxyethanol 7.22
    isopentanol 0.99
    n-heptane 0.3
    ethyl formate 1.27
    1,2-dichloroethane 0.47
    n-hexanol 1.25
    2-methoxyethanol 15.43
    isobutyl acetate 0.27
    tetrachloromethane 0.26
    n-pentyl acetate 0.63
    transcutol 7.85
    n-heptanol 1.25
    ethylbenzene 0.32
    MIBK 0.73
    2-propoxyethanol 6.2
    tert-butanol 1.78
    MTBE 0.39
    2-butoxyethanol 4.67
    propionic acid 2.27
    o-xylene 0.75
    formic acid 54.32
    diethyl ether 0.29
    m-xylene 0.47
    p-xylene 0.49
    chlorobenzene 0.29
    dimethyl carbonate 0.83
    n-octane 0.16
    formamide 33.85
    cyclopentanone 4.75
    2-pentanone 0.63
    anisole 0.67
    cyclopentyl methyl ether 1.46
    gamma-butyrolactone 6.44
    1-methoxy-2-propanol 6.48
    pyridine 1.44
    3-pentanone 0.58
    furfural 11.63
    n-dodecane 0.1
    diethylene glycol 17.85
    diisopropyl ether 0.26
    tert-amyl alcohol 1.37
    acetylacetone 2.36
    n-hexadecane 0.11
    acetophenone 1.53
    methyl propionate 0.63
    isopentyl acetate 0.77
    trichloroethylene 0.57
    n-nonanol 0.8
    cyclohexanol 2.09
    benzyl alcohol 1.66
    2-ethylhexanol 0.97
    isooctanol 1.07
    dipropyl ether 0.62
    1,2-dichlorobenzene 0.55
    ethyl lactate 1.62
    propylene carbonate 3.25
    n-methylformamide 7.77
    2-pentanol 0.51
    n-pentane 0.12
    1-propoxy-2-propanol 3.32
    1-methoxy-2-propyl acetate 1.82
    2-(2-methoxypropoxy) propanol 5.13
    mesitylene 0.58
    ε-caprolactone 4.3
    p-cymene 0.66
    epichlorohydrin 2.4
    1,1,1-trichloroethane 0.24
    2-aminoethanol 13.49
    morpholine-4-carbaldehyde 32.11
    sulfolane 26.32
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 1.58
    n-hexyl acetate 0.75
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 6.22
    sec-butyl acetate 0.3
    tert-butyl acetate 0.82
    decalin 0.22
    glycerin 31.16
    diglyme 9.61
    acrylic acid 4.57
    isopropyl myristate 0.47
    n-butyric acid 2.23
    acetyl acetate 0.89
    di(2-ethylhexyl) phthalate 1.44
    ethyl propionate 0.45
    nitromethane 7.78
    1,2-diethoxyethane 1.02
    benzonitrile 1.05
    trioctyl phosphate 1.04
    1-bromopropane 0.16
    gamma-valerolactone 15.43
    n-decanol 0.68
    triethyl phosphate 1.18
    4-methyl-2-pentanol 0.56
    propionitrile 0.38
    vinylene carbonate 2.97
    1,1,2-trichlorotrifluoroethane 9.15
    DMS 1.06
    cumene 0.41
    2-octanol 0.63
    2-hexanone 0.49
    octyl acetate 0.65
    limonene 0.85
    1,2-dimethoxyethane 5.42
    ethyl orthosilicate 1.09
    tributyl phosphate 0.91
    diacetone alcohol 3.78
    N,N-dimethylaniline 1.34
    acrylonitrile 0.89
    aniline 0.8
    1,3-propanediol 10.09
    bromobenzene 0.24
    dibromomethane 0.28
    1,1,2,2-tetrachloroethane 0.8
    2-methyl-cyclohexyl acetate 1.35
    tetrabutyl urea 1.99
    diisobutyl methanol 0.86
    2-phenylethanol 1.91
    styrene 0.24
    dioctyl adipate 1.02
    dimethyl sulfate 3.51
    ethyl butyrate 0.74
    methyl lactate 3.51
    butyl lactate 1.77
    diethyl carbonate 0.62
    propanediol butyl ether 4.9
    triethyl orthoformate 1.0
    p-tert-butyltoluene 0.65
    methyl 4-tert-butylbenzoate 3.17
    morpholine 5.16
    tert-butylamine 0.74
    n-dodecanol 0.55
    dimethoxymethane 3.46
    ethylene carbonate 2.3
    cyrene 13.48
    2-ethoxyethyl acetate 1.13
    2-ethylhexyl acetate 0.61
    1,2,4-trichlorobenzene 0.67
    4-methylpyridine 1.06
    dibutyl ether 0.4
    2,6-dimethyl-4-heptanol 0.86
    DEF 3.15
    dimethyl isosorbide 9.49
    tetrachloroethylene 0.96
    eugenol 4.43
    triacetin 1.82
    span 80 5.12
    1,4-butanediol 5.26
    1,1-dichloroethane 0.16
    2-methyl-1-pentanol 0.88
    methyl formate 4.99
    2-methyl-1-butanol 0.83
    n-decane 0.14
    butyronitrile 0.46
    3,7-dimethyl-1-octanol 0.79
    1-chlorooctane 0.25
    1-chlorotetradecane 0.16
    n-nonane 0.14
    undecane 0.11
    tert-butylcyclohexane 0.13
    cyclooctane 0.32
    cyclopentanol 2.98
    tetrahydropyran 1.28
    tert-amyl methyl ether 0.51
    2,5,8-trioxanonane 10.56
    1-hexene 0.17
    2-isopropoxyethanol 3.2
    2,2,2-trifluoroethanol 8.61
    methyl butyrate 0.75

    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