Salnacedin

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  • Identifiers

    CAS number
    87573-01-1

    Molecular formula
    C12H13NO5S

    SMILES
    CC(=O)N[C@@H](CSC(=O)C1=CC=CC=C1O)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Meaty 50.63%
    Odorless 47.18%
    Savory 44.28%
    Sulfurous 34.33%
    Roasted 33.95%
    Cooked 32.65%
    Fruity 27.83%
    Grape 25.94%
    Burnt 22.59%
    Milky 21.3%

     

    Flavor
    Odorless 55.23%
    Bitter 46.32%
    Mild 33.58%
    Bland 29.19%
    Very mild 26.88%
    Cooked 23.93%
    Yeast 22.01%
    Roasted 21.65%
    Sweet-like 21.38%
    Taco 20.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.6 (neutral)

    Molecular weight
    283.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    470°C

    Flash point

    • 260.03 ˚C est.

  • Synonyms

    • Salnacedin
    • 87573-01-1
    • G-201,SCY
    • G-201
    • (2R)-2-acetamido-3-(2-hydroxybenzoyl)sulfanylpropanoic acid
    • 02X9QIP2NU
    • G-201SCY
    • N-Acetyl-L-cysteine salicylate (ester)
    • N-acetyl-S-(2-hydroxybenzoyl)-L-cysteine
    • Salnacedin [USAN:INN]
    • UNII-02X9QIP2NU
    • Salnacedina
    • Salnacedine
    • SALNACEDIN [INN]
    • Salnacedin (USAN/INN)
    • SALNACEDIN [USAN]
    • SALNACEDIN [MART.]
    • SCHEMBL42174
    • orb1702837
    • CHEMBL2106981
    • DTXSID00236468
    • AKOS040746319
    • SCY
    • TS-08395
    • HY-121456
    • CS-0082107
    • NS00126192
    • D05793
    • N-ACETYL-S-(2-HYDROXYBENZOYL)-CYSTEINE
    • L-Cysteine, N-acetyl-, 2-hydroxybenzoate (ester)
    • Q27231555
    • 87573-01-1

  • Applications

    Salnacedin (CAS 87573-01-1) is an organic compound typically used as an intermediate in chemical synthesis and as a research reagent; in industry, it is often evaluated for use as a solvent or co-solvent in process streams; it may function as a stabilizer or chelating agent in specialized polymer, coating, or ink formulations; it is occasionally explored as a specialty additive in electronics-related materials, and its role in broader materials chemistry depends on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.45
    methanol 22.58
    isopropanol 7.05
    water 1.37
    ethyl acetate 2.19
    n-propanol 8.74
    acetone 14.76
    n-butanol 5.92
    acetonitrile 2.26
    DMF 221.75
    toluene 0.22
    isobutanol 3.74
    1,4-dioxane 9.86
    methyl acetate 4.24
    THF 48.82
    2-butanone 9.16
    n-pentanol 4.96
    sec-butanol 6.99
    n-hexane 0.09
    ethylene glycol 14.74
    NMP 97.09
    cyclohexane 0.05
    DMSO 286.65
    n-butyl acetate 2.34
    n-octanol 2.23
    chloroform 0.33
    n-propyl acetate 2.6
    acetic acid 12.63
    dichloromethane 0.59
    cyclohexanone 11.92
    propylene glycol 12.03
    isopropyl acetate 1.71
    DMAc 238.44
    2-ethoxyethanol 53.76
    isopentanol 4.83
    n-heptane 0.08
    ethyl formate 5.49
    1,2-dichloroethane 0.97
    n-hexanol 2.72
    2-methoxyethanol 96.38
    isobutyl acetate 0.89
    tetrachloromethane 0.1
    n-pentyl acetate 1.92
    transcutol 37.41
    n-heptanol 2.53
    ethylbenzene 0.42
    MIBK 3.77
    2-propoxyethanol 26.13
    tert-butanol 10.69
    MTBE 2.31
    2-butoxyethanol 12.44
    propionic acid 5.39
    o-xylene 0.43
    formic acid 35.87
    diethyl ether 1.75
    m-xylene 0.28
    p-xylene 0.59
    chlorobenzene 0.25
    dimethyl carbonate 5.07
    n-octane 0.07
    formamide 63.75
    cyclopentanone 25.46
    2-pentanone 5.9
    anisole 3.75
    cyclopentyl methyl ether 4.17
    gamma-butyrolactone 24.73
    1-methoxy-2-propanol 43.52
    pyridine 4.03
    3-pentanone 3.55
    furfural 23.26
    n-dodecane 0.07
    diethylene glycol 38.07
    diisopropyl ether 0.43
    tert-amyl alcohol 9.12
    acetylacetone 9.01
    n-hexadecane 0.08
    acetophenone 5.88
    methyl propionate 4.74
    isopentyl acetate 2.45
    trichloroethylene 1.48
    n-nonanol 2.34
    cyclohexanol 3.25
    benzyl alcohol 5.68
    2-ethylhexanol 1.67
    isooctanol 1.97
    dipropyl ether 1.81
    1,2-dichlorobenzene 0.5
    ethyl lactate 7.06
    propylene carbonate 7.3
    n-methylformamide 49.36
    2-pentanol 2.78
    n-pentane 0.04
    1-propoxy-2-propanol 13.74
    1-methoxy-2-propyl acetate 6.9
    2-(2-methoxypropoxy) propanol 18.08
    mesitylene 0.27
    ε-caprolactone 9.76
    p-cymene 0.47
    epichlorohydrin 19.67
    1,1,1-trichloroethane 0.32
    2-aminoethanol 21.16
    morpholine-4-carbaldehyde 66.16
    sulfolane 64.45
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 8.85
    n-hexyl acetate 2.88
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 21.18
    sec-butyl acetate 1.42
    tert-butyl acetate 3.12
    decalin 0.08
    glycerin 38.49
    diglyme 34.25
    acrylic acid 6.57
    isopropyl myristate 1.46
    n-butyric acid 5.69
    acetyl acetate 1.37
    di(2-ethylhexyl) phthalate 3.2
    ethyl propionate 2.88
    nitromethane 26.69
    1,2-diethoxyethane 5.37
    benzonitrile 2.39
    trioctyl phosphate 2.17
    1-bromopropane 0.43
    gamma-valerolactone 46.12
    n-decanol 1.85
    triethyl phosphate 2.92
    4-methyl-2-pentanol 1.73
    propionitrile 2.26
    vinylene carbonate 5.69
    1,1,2-trichlorotrifluoroethane 22.38
    DMS 3.32
    cumene 0.43
    2-octanol 1.54
    2-hexanone 4.66
    octyl acetate 2.16
    limonene 0.68
    1,2-dimethoxyethane 59.23
    ethyl orthosilicate 2.63
    tributyl phosphate 2.47
    diacetone alcohol 14.58
    N,N-dimethylaniline 4.12
    acrylonitrile 4.12
    aniline 1.59
    1,3-propanediol 24.79
    bromobenzene 0.16
    dibromomethane 0.32
    1,1,2,2-tetrachloroethane 1.76
    2-methyl-cyclohexyl acetate 3.15
    tetrabutyl urea 5.92
    diisobutyl methanol 1.17
    2-phenylethanol 4.12
    styrene 0.43
    dioctyl adipate 3.53
    dimethyl sulfate 18.21
    ethyl butyrate 2.79
    methyl lactate 13.87
    butyl lactate 4.86
    diethyl carbonate 2.31
    propanediol butyl ether 12.27
    triethyl orthoformate 3.18
    p-tert-butyltoluene 0.45
    methyl 4-tert-butylbenzoate 7.77
    morpholine 21.63
    tert-butylamine 2.28
    n-dodecanol 1.38
    dimethoxymethane 46.62
    ethylene carbonate 3.93
    cyrene 24.6
    2-ethoxyethyl acetate 4.21
    2-ethylhexyl acetate 1.63
    1,2,4-trichlorobenzene 0.83
    4-methylpyridine 3.82
    dibutyl ether 1.64
    2,6-dimethyl-4-heptanol 1.17
    DEF 18.77
    dimethyl isosorbide 25.1
    tetrachloroethylene 1.02
    eugenol 10.26
    triacetin 5.28
    span 80 9.09
    1,4-butanediol 12.92
    1,1-dichloroethane 0.3
    2-methyl-1-pentanol 4.12
    methyl formate 25.88
    2-methyl-1-butanol 4.93
    n-decane 0.12
    butyronitrile 2.41
    3,7-dimethyl-1-octanol 1.9
    1-chlorooctane 0.5
    1-chlorotetradecane 0.26
    n-nonane 0.11
    undecane 0.09
    tert-butylcyclohexane 0.06
    cyclooctane 0.03
    cyclopentanol 5.62
    tetrahydropyran 3.59
    tert-amyl methyl ether 3.01
    2,5,8-trioxanonane 31.09
    1-hexene 0.5
    2-isopropoxyethanol 19.02
    2,2,2-trifluoroethanol 7.33
    methyl butyrate 5.06

    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