Mesyloxybenzyl methoxyethyl chlorobenzamide

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  • Identifiers

    CAS number
    853081-53-5

    Molecular formula
    C18H20ClNO5S

    SMILES
    COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 49.53%
    Grape 37.69%
    Fruity 29.3%
    Savory 28.28%
    Cooked 27.18%
    Citrus 25.29%
    Meaty 24.77%
    Roasted 23.2%
    Bitter 21.83%
    Milky 21.52%

     

    Flavor
    Bitter 78.17%
    Odorless 34.36%
    Bland 25.77%
    Mild 23.44%
    Nitrile 20.29%
    Orange flower 19.64%
    Heather 19.45%
    Sweet-like 19.44%
    Broom 19.33%
    Genet 19.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.67 (neutral)

    Molecular weight
    397.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    639°C

    Flash point

    • 241.81 ˚C est.

  • Synonyms

    • Mesyloxybenzyl methoxyethyl chlorobenzamide
    • 853081-53-5
    • UNII-3HB4C300XB
    • Mesyloxybenzylmethoxyethlchlorobenzamide
    • 3HB4C300XB
    • Mesyloxybenzyl methoxyethyl chlorobenzamide [INCI]
    • Benzamide, 4-chloro-N-(2-methoxyethyl)-N-((3-((methylsulfonyl)oxy)phenyl)methyl)-
    • RefChem:201628
    • 4-Chloro-N-(2-methoxyethyl)-N-[[3-[(methylsulfonyl)oxy]phenyl]methyl]benzamide
    • SCHEMBL15975724
    • G90129
    • Q27257220
    • 853081-53-5

  • Applications

    Mesyloxybenzyl methoxyethyl chlorobenzamide (CAS 853081-53-5) is primarily used as an organic synthesis intermediate and building block in industrial manufacturing, enabling access to more complex aromatic compounds for pharmaceutical and fine-chemical products; it can also serve as a precursor for specialty polymers and coating formulations, including functional resins and adhesives; it may be explored as a dye/pigment chemistry intermediate in materials development; and it is often employed as a research reagent or reactive intermediate in formulation development for advanced materials, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.05
    methanol 14.76
    isopropanol 2.18
    water 0.03
    ethyl acetate 9.89
    n-propanol 3.96
    acetone 50.95
    n-butanol 2.03
    acetonitrile 27.56
    DMF 202.51
    toluene 0.91
    isobutanol 2.08
    1,4-dioxane 19.4
    methyl acetate 17.82
    THF 57.66
    2-butanone 31.17
    n-pentanol 2.44
    sec-butanol 2.7
    n-hexane 0.01
    ethylene glycol 3.48
    NMP 119.65
    cyclohexane 0.07
    DMSO 145.98
    n-butyl acetate 5.72
    n-octanol 1.81
    chloroform 56.16
    n-propyl acetate 8.84
    acetic acid 38.28
    dichloromethane 71.62
    cyclohexanone 46.3
    propylene glycol 5.36
    isopropyl acetate 5.08
    DMAc 300.89
    2-ethoxyethanol 28.97
    isopentanol 1.83
    n-heptane 0.03
    ethyl formate 16.57
    1,2-dichloroethane 28.1
    n-hexanol 1.16
    2-methoxyethanol 52.96
    isobutyl acetate 4.12
    tetrachloromethane 0.67
    n-pentyl acetate 4.47
    transcutol 64.09
    n-heptanol 1.55
    ethylbenzene 0.71
    MIBK 5.39
    2-propoxyethanol 20.1
    tert-butanol 2.08
    MTBE 1.23
    2-butoxyethanol 10.23
    propionic acid 11.4
    o-xylene 0.82
    formic acid 28.41
    diethyl ether 1.47
    m-xylene 0.51
    p-xylene 1.36
    chlorobenzene 5.55
    dimethyl carbonate 17.04
    n-octane 0.03
    formamide 62.01
    cyclopentanone 80.82
    2-pentanone 11.99
    anisole 8.38
    cyclopentyl methyl ether 4.53
    gamma-butyrolactone 78.37
    1-methoxy-2-propanol 27.53
    pyridine 29.55
    3-pentanone 10.28
    furfural 78.71
    n-dodecane 0.06
    diethylene glycol 21.96
    diisopropyl ether 0.25
    tert-amyl alcohol 2.48
    acetylacetone 33.89
    n-hexadecane 0.07
    acetophenone 17.5
    methyl propionate 16.21
    isopentyl acetate 5.21
    trichloroethylene 93.47
    n-nonanol 2.02
    cyclohexanol 2.79
    benzyl alcohol 11.24
    2-ethylhexanol 1.2
    isooctanol 1.46
    dipropyl ether 1.85
    1,2-dichlorobenzene 7.41
    ethyl lactate 12.25
    propylene carbonate 28.98
    n-methylformamide 58.34
    2-pentanol 0.78
    n-pentane 0.01
    1-propoxy-2-propanol 12.61
    1-methoxy-2-propyl acetate 15.55
    2-(2-methoxypropoxy) propanol 20.56
    mesitylene 0.33
    ε-caprolactone 29.75
    p-cymene 0.87
    epichlorohydrin 87.96
    1,1,1-trichloroethane 6.74
    2-aminoethanol 6.76
    morpholine-4-carbaldehyde 110.56
    sulfolane 94.31
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 11.52
    n-hexyl acetate 5.4
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 20.79
    sec-butyl acetate 4.18
    tert-butyl acetate 4.88
    decalin 0.05
    glycerin 15.71
    diglyme 48.51
    acrylic acid 16.62
    isopropyl myristate 2.4
    n-butyric acid 11.02
    acetyl acetate 11.74
    di(2-ethylhexyl) phthalate 6.29
    ethyl propionate 8.57
    nitromethane 134.53
    1,2-diethoxyethane 10.76
    benzonitrile 15.19
    trioctyl phosphate 3.01
    1-bromopropane 3.1
    gamma-valerolactone 115.03
    n-decanol 1.52
    triethyl phosphate 6.34
    4-methyl-2-pentanol 0.66
    propionitrile 12.45
    vinylene carbonate 33.37
    1,1,2-trichlorotrifluoroethane 79.09
    DMS 11.43
    cumene 0.56
    2-octanol 1.03
    2-hexanone 10.59
    octyl acetate 3.52
    limonene 1.11
    1,2-dimethoxyethane 57.26
    ethyl orthosilicate 4.79
    tributyl phosphate 4.34
    diacetone alcohol 13.17
    N,N-dimethylaniline 6.11
    acrylonitrile 28.77
    aniline 5.19
    1,3-propanediol 7.94
    bromobenzene 4.09
    dibromomethane 19.7
    1,1,2,2-tetrachloroethane 52.17
    2-methyl-cyclohexyl acetate 7.73
    tetrabutyl urea 8.84
    diisobutyl methanol 0.79
    2-phenylethanol 7.84
    styrene 1.34
    dioctyl adipate 7.86
    dimethyl sulfate 41.26
    ethyl butyrate 7.71
    methyl lactate 22.78
    butyl lactate 8.51
    diethyl carbonate 7.27
    propanediol butyl ether 11.56
    triethyl orthoformate 6.62
    p-tert-butyltoluene 0.68
    methyl 4-tert-butylbenzoate 14.16
    morpholine 30.78
    tert-butylamine 0.55
    n-dodecanol 1.12
    dimethoxymethane 56.71
    ethylene carbonate 22.18
    cyrene 33.93
    2-ethoxyethyl acetate 12.18
    2-ethylhexyl acetate 3.79
    1,2,4-trichlorobenzene 11.78
    4-methylpyridine 17.89
    dibutyl ether 2.19
    2,6-dimethyl-4-heptanol 0.79
    DEF 32.65
    dimethyl isosorbide 37.73
    tetrachloroethylene 19.97
    eugenol 16.71
    triacetin 16.96
    span 80 12.35
    1,4-butanediol 4.36
    1,1-dichloroethane 11.69
    2-methyl-1-pentanol 2.49
    methyl formate 44.95
    2-methyl-1-butanol 2.15
    n-decane 0.09
    butyronitrile 8.2
    3,7-dimethyl-1-octanol 1.87
    1-chlorooctane 0.78
    1-chlorotetradecane 0.34
    n-nonane 0.06
    undecane 0.07
    tert-butylcyclohexane 0.03
    cyclooctane 0.02
    cyclopentanol 5.18
    tetrahydropyran 7.43
    tert-amyl methyl ether 1.66
    2,5,8-trioxanonane 37.6
    1-hexene 0.16
    2-isopropoxyethanol 13.14
    2,2,2-trifluoroethanol 17.0
    methyl butyrate 14.0

    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