O-methyl N-[[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methyl]carbamothioate

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  • Identifiers

    CAS number
    148152-07-2

    Molecular formula
    C15H21NO6S

    SMILES
    CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=S)OC)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.14%
    Meaty 42.1%
    Savory 41.53%
    Roasted 30.1%
    Sulfurous 28.56%
    Cooked 25.81%
    Milky 20.54%
    Cooling 18.66%
    Burnt 16.94%
    Beefy 16.38%

     

    Flavor
    Bitter 64.47%
    Odorless 37.66%
    Bland 27.09%
    Sweet-like 26.44%
    Sweet 24.71%
    Mild 24.07%
    Very mild 21.16%
    Orange flower 20.27%
    Fruity 20.13%
    Orange blossom 20.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.99 (neutral)

    Molecular weight
    343.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    951°C

    Flash point

    • 189.74 ˚C est.

  • Synonyms

    • 148152-07-2
    • O-methyl N-[[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methyl]carbamothioate
    • SCHEMBL15267743
    • SCHEMBL15267746
    • CHEBI:172566
    • DTXSID201111975
    • O-Methyl hydrogen ({4-[(6-deoxyhexopyranosyl)oxy]phenyl}methyl)carbonimidothioate
    • Carbonimidothioic acid, N-[[4-[(6-deoxy-I+/--L-mannopyranosyl)oxy]phenyl]methyl]-, O-methyl ester, [C(E)]-
    • O-methyl N-[[4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxyphenyl]methyl]carbamothioate
    • 148152-07-2

  • Applications

    O-methyl N-[[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methyl]carbamothioate (CAS 148152-07-2) is primarily explored in agriculture as a potential insecticidal or acaricidal active ingredient and may appear as a component in pesticide formulations, including prospects for foliar sprays and seed treatments. It also functions as an intermediate in the synthesis of other carbamate pesticides, serving as a scaffold for further modification. In research and development contexts, it is evaluated for environmental fate, degradation behavior, and formulation compatibility, while regulatory status and allowable usage depend on local rules and product registrations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.16
    methanol 21.5
    isopropanol 3.45
    water 5.35
    ethyl acetate 2.36
    n-propanol 3.85
    acetone 7.87
    n-butanol 7.41
    acetonitrile 2.4
    DMF 68.4
    toluene 1.12
    isobutanol 1.65
    1,4-dioxane 18.08
    methyl acetate 2.13
    THF 29.96
    2-butanone 3.58
    n-pentanol 2.4
    sec-butanol 2.59
    n-hexane 0.04
    ethylene glycol 31.75
    NMP 29.98
    cyclohexane 0.35
    DMSO 260.8
    n-butyl acetate 0.53
    n-octanol 2.73
    chloroform 0.98
    n-propyl acetate 0.72
    acetic acid 41.71
    dichloromethane 0.88
    cyclohexanone 11.0
    propylene glycol 28.06
    isopropyl acetate 1.59
    DMAc 99.58
    2-ethoxyethanol 34.12
    isopentanol 3.52
    n-heptane 0.21
    ethyl formate 2.99
    1,2-dichloroethane 1.11
    n-hexanol 1.58
    2-methoxyethanol 103.17
    isobutyl acetate 0.46
    tetrachloromethane 0.22
    n-pentyl acetate 1.61
    transcutol 62.06
    n-heptanol 3.23
    ethylbenzene 0.39
    MIBK 2.47
    2-propoxyethanol 15.47
    tert-butanol 3.27
    MTBE 1.05
    2-butoxyethanol 13.23
    propionic acid 5.22
    o-xylene 1.08
    formic acid 107.89
    diethyl ether 1.72
    m-xylene 0.78
    p-xylene 0.53
    chlorobenzene 0.57
    dimethyl carbonate 6.07
    n-octane 0.17
    formamide 109.45
    cyclopentanone 13.95
    2-pentanone 4.88
    anisole 1.69
    cyclopentyl methyl ether 5.7
    gamma-butyrolactone 14.03
    1-methoxy-2-propanol 53.15
    pyridine 6.84
    3-pentanone 3.19
    furfural 19.17
    n-dodecane 0.13
    diethylene glycol 40.67
    diisopropyl ether 0.4
    tert-amyl alcohol 2.85
    acetylacetone 10.78
    n-hexadecane 0.15
    acetophenone 3.24
    methyl propionate 4.07
    isopentyl acetate 0.72
    trichloroethylene 2.55
    n-nonanol 3.01
    cyclohexanol 7.4
    benzyl alcohol 4.71
    2-ethylhexanol 0.9
    isooctanol 2.1
    dipropyl ether 1.55
    1,2-dichlorobenzene 0.64
    ethyl lactate 4.28
    propylene carbonate 4.39
    n-methylformamide 23.76
    2-pentanol 2.68
    n-pentane 0.08
    1-propoxy-2-propanol 8.83
    1-methoxy-2-propyl acetate 3.5
    2-(2-methoxypropoxy) propanol 13.74
    mesitylene 0.54
    ε-caprolactone 7.63
    p-cymene 0.44
    epichlorohydrin 10.75
    1,1,1-trichloroethane 0.46
    2-aminoethanol 25.68
    morpholine-4-carbaldehyde 54.56
    sulfolane 41.19
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 5.55
    n-hexyl acetate 2.35
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 21.9
    sec-butyl acetate 0.6
    tert-butyl acetate 2.14
    decalin 0.09
    glycerin 96.47
    diglyme 37.12
    acrylic acid 10.86
    isopropyl myristate 1.23
    n-butyric acid 8.54
    acetyl acetate 2.88
    di(2-ethylhexyl) phthalate 2.43
    ethyl propionate 1.0
    nitromethane 39.91
    1,2-diethoxyethane 5.09
    benzonitrile 1.8
    trioctyl phosphate 1.75
    1-bromopropane 0.4
    gamma-valerolactone 36.1
    n-decanol 2.21
    triethyl phosphate 1.44
    4-methyl-2-pentanol 1.26
    propionitrile 1.27
    vinylene carbonate 4.52
    1,1,2-trichlorotrifluoroethane 32.14
    DMS 2.74
    cumene 0.27
    2-octanol 1.77
    2-hexanone 1.42
    octyl acetate 1.89
    limonene 0.73
    1,2-dimethoxyethane 23.5
    ethyl orthosilicate 1.41
    tributyl phosphate 1.64
    diacetone alcohol 11.18
    N,N-dimethylaniline 1.95
    acrylonitrile 2.86
    aniline 3.73
    1,3-propanediol 50.56
    bromobenzene 0.41
    dibromomethane 0.52
    1,1,2,2-tetrachloroethane 3.18
    2-methyl-cyclohexyl acetate 1.46
    tetrabutyl urea 3.93
    diisobutyl methanol 0.76
    2-phenylethanol 2.77
    styrene 0.42
    dioctyl adipate 2.88
    dimethyl sulfate 14.89
    ethyl butyrate 0.98
    methyl lactate 17.86
    butyl lactate 4.06
    diethyl carbonate 0.86
    propanediol butyl ether 17.69
    triethyl orthoformate 1.83
    p-tert-butyltoluene 0.48
    methyl 4-tert-butylbenzoate 6.69
    morpholine 27.21
    tert-butylamine 0.74
    n-dodecanol 1.61
    dimethoxymethane 31.23
    ethylene carbonate 3.41
    cyrene 18.28
    2-ethoxyethyl acetate 4.24
    2-ethylhexyl acetate 0.5
    1,2,4-trichlorobenzene 1.13
    4-methylpyridine 4.05
    dibutyl ether 1.55
    2,6-dimethyl-4-heptanol 0.76
    DEF 13.93
    dimethyl isosorbide 16.43
    tetrachloroethylene 2.3
    eugenol 8.53
    triacetin 6.12
    span 80 10.67
    1,4-butanediol 13.41
    1,1-dichloroethane 0.45
    2-methyl-1-pentanol 1.72
    methyl formate 15.45
    2-methyl-1-butanol 2.89
    n-decane 0.25
    butyronitrile 1.87
    3,7-dimethyl-1-octanol 1.64
    1-chlorooctane 0.68
    1-chlorotetradecane 0.32
    n-nonane 0.21
    undecane 0.17
    tert-butylcyclohexane 0.05
    cyclooctane 0.19
    cyclopentanol 6.97
    tetrahydropyran 6.91
    tert-amyl methyl ether 1.5
    2,5,8-trioxanonane 31.53
    1-hexene 0.15
    2-isopropoxyethanol 12.15
    2,2,2-trifluoroethanol 16.78
    methyl butyrate 1.53

    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