Methyl 2-(butylamino)benzoate

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  • Identifiers

    CAS number
    55369-70-5

    Molecular formula
    C12H17NO2

    SMILES
    CCCCNC1=CC=CC=C1C(=O)OC

  • Odor profile

    Fragrance
    Grape 55.98%
    Citrus 40.28%
    Fruity 31.91%
    Grapefruit 29.41%
    Animal 29.37%
    Floral 28.92%
    Sweet 28.35%
    Fresh 26.74%
    Cheesy 24.32%
    Herbal 24.04%

     

    Flavor
    Fruity 59.97%
    Floral 40.21%
    Herbal 39.34%
    Mild 28.65%
    Sweet 27.73%
    Grape 27.55%
    Woody 25.96%
    Musty 25.61%
    Wine 25.11%
    Oily 23.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.28 (neutral)

    Molecular weight
    207.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point

    • 133.49 ˚C est.

  • Synonyms

    • methyl 2-(butylamino)benzoate
    • 55369-70-5
    • methyl2-(butylamino)benzoate
    • DTXSID201263120
    • AKOS002665769
    • CS-0261521
    • Benzoic acid, 2-(butylamino)-, methyl ester
    • EN300-78821
    • Z54131031

  • Applications

    Methyl 2-(butylamino)benzoate is typically used as an intermediate in organic synthesis and as a fragrance-related material. In perfumery and cosmetics, it may serve as an odorant or fragrance ingredient and as a building block for aromatic compounds. It can also find use in household products such as air fresheners and cleaners as a fragrance component. In industrial manufacturing, it can act as an intermediate for the synthesis of specialty dyes, pigments, or polymer-related intermediates used in coatings and inks. It may be evaluated as a precursor for pharmaceutical or agrochemical derivatives. Its use is subject to local regulations and formulation limits. Chemical name: Methyl 2-(butylamino)benzoate; CAS number: 55369-70-5.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 596.69
    methanol 908.75
    isopropanol 339.36
    water 0.24
    ethyl acetate 523.29
    n-propanol 475.66
    acetone 949.92
    n-butanol 435.16
    acetonitrile 379.79
    DMF 2488.57
    toluene 163.08
    isobutanol 330.08
    1,4-dioxane 595.44
    methyl acetate 439.99
    THF 699.53
    2-butanone 535.0
    n-pentanol 261.82
    sec-butanol 286.83
    n-hexane 7.73
    ethylene glycol 210.09
    NMP 1405.43
    cyclohexane 22.44
    DMSO 1857.02
    n-butyl acetate 293.6
    n-octanol 74.79
    chloroform 1405.76
    n-propyl acetate 260.2
    acetic acid 800.01
    dichloromethane 1427.71
    cyclohexanone 883.77
    propylene glycol 287.64
    isopropyl acetate 286.95
    DMAc 1245.51
    2-ethoxyethanol 380.44
    isopentanol 346.86
    n-heptane 3.85
    ethyl formate 375.35
    1,2-dichloroethane 1230.35
    n-hexanol 230.27
    2-methoxyethanol 941.34
    isobutyl acetate 152.85
    tetrachloromethane 97.62
    n-pentyl acetate 138.81
    transcutol 944.46
    n-heptanol 91.16
    ethylbenzene 71.33
    MIBK 250.76
    2-propoxyethanol 382.49
    tert-butanol 399.29
    MTBE 255.88
    2-butoxyethanol 209.01
    propionic acid 467.62
    o-xylene 103.04
    formic acid 291.9
    diethyl ether 235.59
    m-xylene 116.31
    p-xylene 94.23
    chlorobenzene 423.83
    dimethyl carbonate 256.49
    n-octane 2.71
    formamide 508.79
    cyclopentanone 1015.39
    2-pentanone 490.34
    anisole 212.54
    cyclopentyl methyl ether 330.7
    gamma-butyrolactone 1074.17
    1-methoxy-2-propanol 604.1
    pyridine 622.65
    3-pentanone 330.66
    furfural 912.63
    n-dodecane 3.23
    diethylene glycol 389.62
    diisopropyl ether 54.76
    tert-amyl alcohol 305.96
    acetylacetone 591.91
    n-hexadecane 3.89
    acetophenone 247.29
    methyl propionate 476.59
    isopentyl acetate 241.27
    trichloroethylene 2154.5
    n-nonanol 64.92
    cyclohexanol 378.6
    benzyl alcohol 252.1
    2-ethylhexanol 106.78
    isooctanol 76.26
    dipropyl ether 75.72
    1,2-dichlorobenzene 350.48
    ethyl lactate 149.4
    propylene carbonate 586.55
    n-methylformamide 845.06
    2-pentanol 207.2
    n-pentane 7.27
    1-propoxy-2-propanol 237.05
    1-methoxy-2-propyl acetate 266.29
    2-(2-methoxypropoxy) propanol 163.25
    mesitylene 67.19
    ε-caprolactone 642.21
    p-cymene 45.26
    epichlorohydrin 1271.63
    1,1,1-trichloroethane 668.61
    2-aminoethanol 388.02
    morpholine-4-carbaldehyde 894.69
    sulfolane 1531.65
    2,2,4-trimethylpentane 9.7
    2-methyltetrahydrofuran 481.72
    n-hexyl acetate 187.52
    isooctane 6.96
    2-(2-butoxyethoxy)ethanol 269.83
    sec-butyl acetate 149.26
    tert-butyl acetate 268.88
    decalin 14.43
    glycerin 405.6
    diglyme 545.33
    acrylic acid 467.6
    isopropyl myristate 58.82
    n-butyric acid 737.12
    acetyl acetate 330.41
    di(2-ethylhexyl) phthalate 82.27
    ethyl propionate 216.95
    nitromethane 1205.61
    1,2-diethoxyethane 220.74
    benzonitrile 297.77
    trioctyl phosphate 59.79
    1-bromopropane 362.7
    gamma-valerolactone 1113.12
    n-decanol 47.97
    triethyl phosphate 82.71
    4-methyl-2-pentanol 110.49
    propionitrile 323.25
    vinylene carbonate 544.06
    1,1,2-trichlorotrifluoroethane 1017.81
    DMS 196.13
    cumene 51.5
    2-octanol 56.84
    2-hexanone 255.08
    octyl acetate 86.33
    limonene 71.42
    1,2-dimethoxyethane 548.66
    ethyl orthosilicate 75.61
    tributyl phosphate 75.44
    diacetone alcohol 342.19
    N,N-dimethylaniline 131.85
    acrylonitrile 514.96
    aniline 357.6
    1,3-propanediol 544.24
    bromobenzene 408.4
    dibromomethane 815.87
    1,1,2,2-tetrachloroethane 1686.33
    2-methyl-cyclohexyl acetate 130.24
    tetrabutyl urea 105.34
    diisobutyl methanol 58.55
    2-phenylethanol 199.11
    styrene 112.68
    dioctyl adipate 103.69
    dimethyl sulfate 445.2
    ethyl butyrate 159.05
    methyl lactate 301.07
    butyl lactate 144.67
    diethyl carbonate 122.14
    propanediol butyl ether 216.67
    triethyl orthoformate 104.71
    p-tert-butyltoluene 42.39
    methyl 4-tert-butylbenzoate 158.81
    morpholine 783.67
    tert-butylamine 181.5
    n-dodecanol 36.04
    dimethoxymethane 657.99
    ethylene carbonate 453.73
    cyrene 230.47
    2-ethoxyethyl acetate 213.68
    2-ethylhexyl acetate 171.66
    1,2,4-trichlorobenzene 409.03
    4-methylpyridine 587.41
    dibutyl ether 74.76
    2,6-dimethyl-4-heptanol 58.55
    DEF 767.09
    dimethyl isosorbide 298.31
    tetrachloroethylene 883.58
    eugenol 183.03
    triacetin 167.63
    span 80 158.83
    1,4-butanediol 189.43
    1,1-dichloroethane 892.85
    2-methyl-1-pentanol 225.76
    methyl formate 572.16
    2-methyl-1-butanol 329.67
    n-decane 4.83
    butyronitrile 360.87
    3,7-dimethyl-1-octanol 78.8
    1-chlorooctane 45.0
    1-chlorotetradecane 17.08
    n-nonane 4.1
    undecane 3.82
    tert-butylcyclohexane 12.47
    cyclooctane 5.94
    cyclopentanol 359.31
    tetrahydropyran 508.17
    tert-amyl methyl ether 178.13
    2,5,8-trioxanonane 313.11
    1-hexene 58.04
    2-isopropoxyethanol 232.31
    2,2,2-trifluoroethanol 265.77
    methyl butyrate 345.16

    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