O-Ethyl N-((4-((6-deoxy-alpha-L-mannopyranosyl)oxy)phenyl)methyl)carbamothioate

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  • Identifiers

    CAS number
    147821-49-6

    Molecular formula
    C16H23NO6S

    SMILES
    CCOC(=S)NCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.99%
    Meaty 43.07%
    Savory 41.0%
    Roasted 31.83%
    Sulfurous 26.87%
    Cooked 25.56%
    Milky 20.37%
    Cooling 19.24%
    Burnt 16.63%
    Beefy 15.86%

     

    Flavor
    Bitter 65.0%
    Odorless 36.89%
    Bland 27.84%
    Sweet-like 26.4%
    Mild 24.36%
    Sweet 24.3%
    Fruity 21.61%
    Very mild 21.01%
    Orange blossom 20.24%
    Orange flower 20.24%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.15 (weak base)

    Molecular weight
    357.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    895°C

    Flash point

    • 190.65 ˚C est.

  • Synonyms

    • 147821-49-6
    • RefChem:1093644
    • O-Ethyl N-((4-((6-deoxy-alpha-L-mannopyranosyl)oxy)phenyl)methyl)carbamothioate
    • [[2-ethyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy- phenyl]methylamino]methanethioic acid
    • orb1682018
    • SCHEMBL29899530
    • HY-N8503
    • AKOS040762116
    • CS-0145192
    • O-Ethyl N-[[4-[(6-deoxy-|_-L-mannopyranosyl)oxy]phenyl]methyl]carbamothioate
    • 147821-49-6

  • Applications

    Chemical name: O-Ethyl N-((4-((6-deoxy-alpha-L-mannopyranosyl)oxy)phenyl)methyl)carbamothioate. CAS number: 147821-49-6. Potential applications include as an intermediate in the synthesis of glycosylated aryl carbamate derivatives; as a fragrance ingredient or odorant precursor for perfumery and personal care formulations; as a component in household cleaning products for scent delivery; as a building block in industrial manufacturing for specialty polymers or coatings; and as a fragrance fixative or odor-modulating additive in coatings or inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.61
    methanol 28.88
    isopropanol 3.8
    water 5.35
    ethyl acetate 2.46
    n-propanol 4.85
    acetone 10.61
    n-butanol 7.37
    acetonitrile 2.81
    DMF 81.19
    toluene 1.25
    isobutanol 2.34
    1,4-dioxane 16.96
    methyl acetate 2.89
    THF 30.53
    2-butanone 4.92
    n-pentanol 3.32
    sec-butanol 3.13
    n-hexane 0.06
    ethylene glycol 29.21
    NMP 48.19
    cyclohexane 0.38
    DMSO 316.62
    n-butyl acetate 0.96
    n-octanol 4.13
    chloroform 2.06
    n-propyl acetate 1.23
    acetic acid 53.39
    dichloromethane 1.95
    cyclohexanone 15.98
    propylene glycol 27.92
    isopropyl acetate 1.94
    DMAc 129.51
    2-ethoxyethanol 35.31
    isopentanol 3.97
    n-heptane 0.23
    ethyl formate 3.84
    1,2-dichloroethane 2.03
    n-hexanol 2.29
    2-methoxyethanol 79.39
    isobutyl acetate 0.87
    tetrachloromethane 0.36
    n-pentyl acetate 2.7
    transcutol 73.88
    n-heptanol 4.43
    ethylbenzene 0.55
    MIBK 3.17
    2-propoxyethanol 18.41
    tert-butanol 3.95
    MTBE 1.31
    2-butoxyethanol 16.4
    propionic acid 7.42
    o-xylene 1.23
    formic acid 112.09
    diethyl ether 1.75
    m-xylene 0.93
    p-xylene 0.76
    chlorobenzene 0.95
    dimethyl carbonate 6.76
    n-octane 0.21
    formamide 102.31
    cyclopentanone 18.75
    2-pentanone 5.6
    anisole 2.32
    cyclopentyl methyl ether 6.11
    gamma-butyrolactone 19.28
    1-methoxy-2-propanol 42.63
    pyridine 8.08
    3-pentanone 3.88
    furfural 23.85
    n-dodecane 0.19
    diethylene glycol 41.82
    diisopropyl ether 0.51
    tert-amyl alcohol 3.5
    acetylacetone 12.31
    n-hexadecane 0.22
    acetophenone 4.87
    methyl propionate 4.47
    isopentyl acetate 1.41
    trichloroethylene 4.53
    n-nonanol 4.41
    cyclohexanol 7.73
    benzyl alcohol 6.58
    2-ethylhexanol 1.37
    isooctanol 3.03
    dipropyl ether 1.82
    1,2-dichlorobenzene 1.12
    ethyl lactate 6.19
    propylene carbonate 6.99
    n-methylformamide 27.39
    2-pentanol 2.94
    n-pentane 0.1
    1-propoxy-2-propanol 10.78
    1-methoxy-2-propyl acetate 5.27
    2-(2-methoxypropoxy) propanol 18.47
    mesitylene 0.65
    ε-caprolactone 11.77
    p-cymene 0.66
    epichlorohydrin 14.23
    1,1,1-trichloroethane 0.83
    2-aminoethanol 27.5
    morpholine-4-carbaldehyde 60.19
    sulfolane 60.13
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 6.4
    n-hexyl acetate 3.9
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 26.7
    sec-butyl acetate 1.0
    tert-butyl acetate 2.76
    decalin 0.13
    glycerin 80.09
    diglyme 42.61
    acrylic acid 14.64
    isopropyl myristate 2.03
    n-butyric acid 9.38
    acetyl acetate 3.58
    di(2-ethylhexyl) phthalate 4.14
    ethyl propionate 1.56
    nitromethane 44.53
    1,2-diethoxyethane 6.44
    benzonitrile 2.91
    trioctyl phosphate 2.99
    1-bromopropane 0.68
    gamma-valerolactone 42.18
    n-decanol 3.22
    triethyl phosphate 2.28
    4-methyl-2-pentanol 1.57
    propionitrile 1.69
    vinylene carbonate 7.13
    1,1,2-trichlorotrifluoroethane 37.54
    DMS 4.45
    cumene 0.43
    2-octanol 2.53
    2-hexanone 2.32
    octyl acetate 3.12
    limonene 1.1
    1,2-dimethoxyethane 25.45
    ethyl orthosilicate 2.16
    tributyl phosphate 2.84
    diacetone alcohol 11.88
    N,N-dimethylaniline 2.66
    acrylonitrile 3.75
    aniline 4.16
    1,3-propanediol 39.19
    bromobenzene 0.67
    dibromomethane 1.04
    1,1,2,2-tetrachloroethane 5.21
    2-methyl-cyclohexyl acetate 2.61
    tetrabutyl urea 5.96
    diisobutyl methanol 1.15
    2-phenylethanol 4.2
    styrene 0.59
    dioctyl adipate 4.78
    dimethyl sulfate 18.47
    ethyl butyrate 1.58
    methyl lactate 18.65
    butyl lactate 6.31
    diethyl carbonate 1.43
    propanediol butyl ether 20.88
    triethyl orthoformate 2.64
    p-tert-butyltoluene 0.69
    methyl 4-tert-butylbenzoate 9.58
    morpholine 24.34
    tert-butylamine 0.98
    n-dodecanol 2.33
    dimethoxymethane 31.18
    ethylene carbonate 5.41
    cyrene 24.49
    2-ethoxyethyl acetate 6.35
    2-ethylhexyl acetate 0.97
    1,2,4-trichlorobenzene 1.9
    4-methylpyridine 5.05
    dibutyl ether 2.02
    2,6-dimethyl-4-heptanol 1.15
    DEF 14.58
    dimethyl isosorbide 21.87
    tetrachloroethylene 3.79
    eugenol 11.9
    triacetin 9.34
    span 80 14.61
    1,4-butanediol 15.27
    1,1-dichloroethane 0.84
    2-methyl-1-pentanol 2.55
    methyl formate 18.36
    2-methyl-1-butanol 3.44
    n-decane 0.34
    butyronitrile 2.2
    3,7-dimethyl-1-octanol 2.67
    1-chlorooctane 1.04
    1-chlorotetradecane 0.5
    n-nonane 0.28
    undecane 0.24
    tert-butylcyclohexane 0.07
    cyclooctane 0.19
    cyclopentanol 7.72
    tetrahydropyran 6.97
    tert-amyl methyl ether 1.86
    2,5,8-trioxanonane 36.62
    1-hexene 0.23
    2-isopropoxyethanol 14.92
    2,2,2-trifluoroethanol 20.54
    methyl butyrate 2.34

    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