N-((1R)-1-(Methoxymethyl)-3-methylbutyl)-3,4-dimethylbenzamide

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  • Identifiers

    CAS number
    851669-60-8

    Molecular formula
    C16H25NO2

    SMILES
    CC1=C(C=C(C=C1)C(=O)N[C@H](CC(C)C)COC)C

  • Odor profile

    Fragrance
    Cooling 38.93%
    Mint 36.63%
    Odorless 35.96%
    Savory 33.45%
    Grapefruit 31.34%
    Citrus 25.47%
    Animal 23.27%
    Milky 22.56%
    Meaty 21.98%
    Roasted 20.83%

     

    Flavor
    Bitter 33.29%
    Herbal 30.11%
    Mild 27.1%
    Odorless 27.06%
    Bland 24.29%
    Green pepper 19.49%
    Cedarleaf 19.4%
    Syrup 19.21%
    Parsley 19.03%
    Creosote 18.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.67 (neutral)

    Molecular weight
    263.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    399°C

    Flash point

    • 143.66 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • Fema No. 4751
    • 7F7GWB5O6F
    • UNII-7F7GWB5O6F
    • (R)-N-(1-methoxy-4-methylpentan-2-yl)-3,4-dimethylbenzamide
    • N-((1R)-1-(Methoxymethyl)-3-methylbutyl)-3,4-dimethylbenzamide
    • Benzamide, N-((1R)-1-(methoxymethyl)-3-methylbutyl)-3,4-dimethyl-
    • 851669-60-8
    • SCHEMBL703415
    • SYXUVVHWKKZARL-OAHLLOKOSA-N

  • Applications

    N-((1R)-1-(Methoxymethyl)-3-methylbutyl)-3,4-dimethylbenzamide (CAS number: 851669-60-8) is typically used as a chiral building block and intermediate in fragrance chemistry, enabling the synthesis of odor-active amide fragments for perfumery. It may also serve as a cosmetic intermediate for formulating fragrance-containing personal care products. In industrial manufacturing, it functions as a specialty organic synthesis intermediate, supporting the production of other fine chemicals. In coatings, inks, and polymer formulations, it can be used as a niche additive or building block to tune solubility and compatibility. Subject to local regulations and formulation limits, it may be employed in fragrance or cosmetic product development or as a synthetic intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 387.14
    methanol 489.94
    isopropanol 171.05
    water 1.91
    ethyl acetate 288.74
    n-propanol 236.71
    acetone 200.55
    n-butanol 206.32
    acetonitrile 112.04
    DMF 375.5
    toluene 86.38
    isobutanol 153.78
    1,4-dioxane 388.2
    methyl acetate 216.52
    THF 348.16
    2-butanone 174.19
    n-pentanol 126.23
    sec-butanol 138.08
    n-hexane 5.39
    ethylene glycol 73.43
    NMP 331.29
    cyclohexane 14.79
    DMSO 244.27
    n-butyl acetate 206.37
    n-octanol 52.96
    chloroform 676.35
    n-propyl acetate 146.03
    acetic acid 523.24
    dichloromethane 542.55
    cyclohexanone 328.48
    propylene glycol 103.53
    isopropyl acetate 173.75
    DMAc 443.04
    2-ethoxyethanol 245.52
    isopentanol 173.98
    n-heptane 4.01
    ethyl formate 168.38
    1,2-dichloroethane 370.56
    n-hexanol 182.35
    2-methoxyethanol 443.08
    isobutyl acetate 114.09
    tetrachloromethane 66.81
    n-pentyl acetate 98.27
    transcutol 814.68
    n-heptanol 76.81
    ethylbenzene 47.66
    MIBK 110.58
    2-propoxyethanol 329.02
    tert-butanol 209.32
    MTBE 158.8
    2-butoxyethanol 179.55
    propionic acid 216.08
    o-xylene 70.15
    formic acid 210.66
    diethyl ether 127.4
    m-xylene 76.39
    p-xylene 73.5
    chlorobenzene 178.49
    dimethyl carbonate 86.94
    n-octane 2.68
    formamide 226.72
    cyclopentanone 318.25
    2-pentanone 141.29
    anisole 112.91
    cyclopentyl methyl ether 161.27
    gamma-butyrolactone 377.23
    1-methoxy-2-propanol 267.0
    pyridine 250.31
    3-pentanone 122.22
    furfural 358.68
    n-dodecane 2.57
    diethylene glycol 264.79
    diisopropyl ether 39.22
    tert-amyl alcohol 162.02
    acetylacetone 209.88
    n-hexadecane 2.99
    acetophenone 134.07
    methyl propionate 174.56
    isopentyl acetate 197.2
    trichloroethylene 732.51
    n-nonanol 52.87
    cyclohexanol 175.97
    benzyl alcohol 128.71
    2-ethylhexanol 88.3
    isooctanol 63.98
    dipropyl ether 61.9
    1,2-dichlorobenzene 169.66
    ethyl lactate 82.9
    propylene carbonate 247.74
    n-methylformamide 184.01
    2-pentanol 103.22
    n-pentane 4.71
    1-propoxy-2-propanol 197.08
    1-methoxy-2-propyl acetate 222.0
    2-(2-methoxypropoxy) propanol 147.4
    mesitylene 45.36
    ε-caprolactone 324.87
    p-cymene 39.46
    epichlorohydrin 454.88
    1,1,1-trichloroethane 274.92
    2-aminoethanol 167.13
    morpholine-4-carbaldehyde 426.96
    sulfolane 365.14
    2,2,4-trimethylpentane 7.26
    2-methyltetrahydrofuran 254.54
    n-hexyl acetate 128.91
    isooctane 4.91
    2-(2-butoxyethoxy)ethanol 219.79
    sec-butyl acetate 108.2
    tert-butyl acetate 167.38
    decalin 10.19
    glycerin 151.65
    diglyme 410.34
    acrylic acid 193.12
    isopropyl myristate 45.7
    n-butyric acid 352.49
    acetyl acetate 212.03
    di(2-ethylhexyl) phthalate 67.92
    ethyl propionate 111.31
    nitromethane 489.47
    1,2-diethoxyethane 198.78
    benzonitrile 126.51
    trioctyl phosphate 44.35
    1-bromopropane 133.64
    gamma-valerolactone 513.28
    n-decanol 38.6
    triethyl phosphate 69.01
    4-methyl-2-pentanol 71.5
    propionitrile 101.34
    vinylene carbonate 231.35
    1,1,2-trichlorotrifluoroethane 401.01
    DMS 138.53
    cumene 41.04
    2-octanol 42.2
    2-hexanone 110.33
    octyl acetate 65.07
    limonene 56.19
    1,2-dimethoxyethane 312.76
    ethyl orthosilicate 71.41
    tributyl phosphate 55.0
    diacetone alcohol 179.56
    N,N-dimethylaniline 81.73
    acrylonitrile 126.28
    aniline 155.38
    1,3-propanediol 272.65
    bromobenzene 156.03
    dibromomethane 313.43
    1,1,2,2-tetrachloroethane 602.99
    2-methyl-cyclohexyl acetate 124.62
    tetrabutyl urea 64.97
    diisobutyl methanol 46.42
    2-phenylethanol 149.22
    styrene 56.29
    dioctyl adipate 80.58
    dimethyl sulfate 130.53
    ethyl butyrate 126.93
    methyl lactate 106.5
    butyl lactate 96.96
    diethyl carbonate 88.95
    propanediol butyl ether 137.66
    triethyl orthoformate 97.61
    p-tert-butyltoluene 38.56
    methyl 4-tert-butylbenzoate 120.01
    morpholine 449.88
    tert-butylamine 98.36
    n-dodecanol 28.42
    dimethoxymethane 207.1
    ethylene carbonate 208.97
    cyrene 152.98
    2-ethoxyethyl acetate 178.92
    2-ethylhexyl acetate 148.46
    1,2,4-trichlorobenzene 202.85
    4-methylpyridine 231.67
    dibutyl ether 48.57
    2,6-dimethyl-4-heptanol 46.42
    DEF 199.97
    dimethyl isosorbide 252.65
    tetrachloroethylene 389.95
    eugenol 129.88
    triacetin 135.09
    span 80 132.14
    1,4-butanediol 101.2
    1,1-dichloroethane 299.07
    2-methyl-1-pentanol 129.76
    methyl formate 153.99
    2-methyl-1-butanol 159.84
    n-decane 4.14
    butyronitrile 114.73
    3,7-dimethyl-1-octanol 59.88
    1-chlorooctane 30.04
    1-chlorotetradecane 11.67
    n-nonane 3.5
    undecane 3.16
    tert-butylcyclohexane 9.59
    cyclooctane 4.66
    cyclopentanol 143.97
    tetrahydropyran 291.83
    tert-amyl methyl ether 110.2
    2,5,8-trioxanonane 244.35
    1-hexene 29.17
    2-isopropoxyethanol 167.95
    2,2,2-trifluoroethanol 178.88
    methyl butyrate 162.02

    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