3-Methylbutyl 2-aminobenzoate

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  • Identifiers

    CAS number
    28457-05-8

    Molecular formula
    C12H17NO2

    SMILES
    CC(C)CCOC(=O)C1=CC=CC=C1N

  • Odor profile

    Fragrance
    Grape 69.78%
    Fruity 62.73%
    Floral 59.9%
    Sweet 56.48%
    Neroli 38.4%
    Orange 34.56%
    Berry 31.31%
    Herbal 30.42%
    Animal 29.67%
    Citrus 28.78%

     

    Flavor
    Fruity 63.73%
    Sweet 60.84%
    Floral 59.35%
    Herbal 41.44%
    Bitter 40.12%
    Grape 36.33%
    Woody 30.3%
    Powdery 30.23%
    Berry 29.87%
    Tropical 29.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    5.26 (weak acid)

    Molecular weight
    207.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    307°C

    Flash point

    • 141.85 ˚C est.

  • Synonyms

    • 3-methylbutyl 2-aminobenzoate
    • 28457-05-8
    • NSC 406523
    • isoamyl anthranilate
    • NSC406523
    • ISO-AMYL ANTHRANILATE
    • CHEMBL2263138
    • SCHEMBL11900150
    • ISOPENTYL 2-AMINOBENZOATE
    • DTXSID90324368
    • Anthranilic acid, 3-methylbutyl ester
    • AKOS010530757
    • NSC-406523

  • Applications

    Chemical name: 3-Methylbutyl 2-aminobenzoate (CAS 28457-05-8) is primarily used as a fragrance ingredient and odorant in perfumery, often serving as a fixative to extend scent longevity; it is commonly employed in cosmetics and personal care products to deliver fragrance; in household products such as air fresheners and scented cleaners it contributes aroma notes; and in industrial manufacturing it may be evaluated as an intermediate in fragrance synthesis, with actual use subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1632.35
    methanol 1747.71
    isopropanol 1164.33
    water 0.95
    ethyl acetate 904.72
    n-propanol 1109.49
    acetone 2179.48
    n-butanol 910.19
    acetonitrile 1260.45
    DMF 2479.85
    toluene 131.74
    isobutanol 717.31
    1,4-dioxane 1090.23
    methyl acetate 929.05
    THF 1872.8
    2-butanone 1206.94
    n-pentanol 415.19
    sec-butanol 713.41
    n-hexane 10.26
    ethylene glycol 284.97
    NMP 1465.6
    cyclohexane 24.84
    DMSO 2930.49
    n-butyl acetate 419.77
    n-octanol 93.13
    chloroform 1426.56
    n-propyl acetate 368.71
    acetic acid 1758.51
    dichloromethane 1251.15
    cyclohexanone 1335.6
    propylene glycol 613.16
    isopropyl acetate 442.26
    DMAc 1283.71
    2-ethoxyethanol 615.2
    isopentanol 586.9
    n-heptane 5.43
    ethyl formate 635.87
    1,2-dichloroethane 1153.41
    n-hexanol 395.3
    2-methoxyethanol 1987.5
    isobutyl acetate 194.37
    tetrachloromethane 78.31
    n-pentyl acetate 161.49
    transcutol 1604.22
    n-heptanol 127.99
    ethylbenzene 58.35
    MIBK 363.13
    2-propoxyethanol 740.77
    tert-butanol 968.04
    MTBE 407.37
    2-butoxyethanol 300.42
    propionic acid 875.48
    o-xylene 72.03
    formic acid 568.97
    diethyl ether 371.15
    m-xylene 91.81
    p-xylene 91.85
    chlorobenzene 393.2
    dimethyl carbonate 304.61
    n-octane 2.9
    formamide 1049.19
    cyclopentanone 1886.94
    2-pentanone 836.87
    anisole 231.31
    cyclopentyl methyl ether 508.02
    gamma-butyrolactone 1937.09
    1-methoxy-2-propanol 1162.93
    pyridine 923.82
    3-pentanone 457.84
    furfural 1169.06
    n-dodecane 3.0
    diethylene glycol 676.27
    diisopropyl ether 75.87
    tert-amyl alcohol 584.65
    acetylacetone 948.09
    n-hexadecane 3.53
    acetophenone 253.36
    methyl propionate 717.67
    isopentyl acetate 340.63
    trichloroethylene 2215.59
    n-nonanol 83.71
    cyclohexanol 558.78
    benzyl alcohol 268.88
    2-ethylhexanol 141.25
    isooctanol 100.31
    dipropyl ether 107.82
    1,2-dichlorobenzene 301.01
    ethyl lactate 206.94
    propylene carbonate 864.16
    n-methylformamide 1319.77
    2-pentanol 420.1
    n-pentane 10.11
    1-propoxy-2-propanol 445.08
    1-methoxy-2-propyl acetate 441.6
    2-(2-methoxypropoxy) propanol 273.62
    mesitylene 53.89
    ε-caprolactone 977.17
    p-cymene 38.91
    epichlorohydrin 2282.68
    1,1,1-trichloroethane 730.9
    2-aminoethanol 739.74
    morpholine-4-carbaldehyde 1243.34
    sulfolane 1972.56
    2,2,4-trimethylpentane 8.1
    2-methyltetrahydrofuran 1092.99
    n-hexyl acetate 230.98
    isooctane 7.44
    2-(2-butoxyethoxy)ethanol 460.0
    sec-butyl acetate 199.85
    tert-butyl acetate 408.39
    decalin 11.35
    glycerin 668.32
    diglyme 741.9
    acrylic acid 726.79
    isopropyl myristate 74.46
    n-butyric acid 1321.41
    acetyl acetate 484.15
    di(2-ethylhexyl) phthalate 98.29
    ethyl propionate 292.41
    nitromethane 2778.83
    1,2-diethoxyethane 322.66
    benzonitrile 365.54
    trioctyl phosphate 72.97
    1-bromopropane 363.96
    gamma-valerolactone 1999.17
    n-decanol 62.32
    triethyl phosphate 93.82
    4-methyl-2-pentanol 176.82
    propionitrile 692.54
    vinylene carbonate 674.19
    1,1,2-trichlorotrifluoroethane 1201.16
    DMS 241.85
    cumene 42.65
    2-octanol 74.62
    2-hexanone 363.53
    octyl acetate 112.76
    limonene 67.04
    1,2-dimethoxyethane 851.72
    ethyl orthosilicate 83.78
    tributyl phosphate 94.97
    diacetone alcohol 650.71
    N,N-dimethylaniline 116.82
    acrylonitrile 873.83
    aniline 383.33
    1,3-propanediol 1157.56
    bromobenzene 333.53
    dibromomethane 714.46
    1,1,2,2-tetrachloroethane 1786.49
    2-methyl-cyclohexyl acetate 173.47
    tetrabutyl urea 117.96
    diisobutyl methanol 74.41
    2-phenylethanol 257.56
    styrene 88.15
    dioctyl adipate 133.25
    dimethyl sulfate 471.4
    ethyl butyrate 218.44
    methyl lactate 446.31
    butyl lactate 188.84
    diethyl carbonate 155.41
    propanediol butyl ether 349.6
    triethyl orthoformate 133.89
    p-tert-butyltoluene 40.34
    methyl 4-tert-butylbenzoate 187.71
    morpholine 1717.08
    tert-butylamine 343.83
    n-dodecanol 45.39
    dimethoxymethane 938.49
    ethylene carbonate 579.02
    cyrene 273.97
    2-ethoxyethyl acetate 283.24
    2-ethylhexyl acetate 217.98
    1,2,4-trichlorobenzene 401.41
    4-methylpyridine 794.31
    dibutyl ether 82.52
    2,6-dimethyl-4-heptanol 74.41
    DEF 815.55
    dimethyl isosorbide 459.84
    tetrachloroethylene 771.66
    eugenol 213.13
    triacetin 213.6
    span 80 253.54
    1,4-butanediol 278.21
    1,1-dichloroethane 1080.23
    2-methyl-1-pentanol 316.28
    methyl formate 924.75
    2-methyl-1-butanol 527.08
    n-decane 4.56
    butyronitrile 710.72
    3,7-dimethyl-1-octanol 105.34
    1-chlorooctane 41.17
    1-chlorotetradecane 15.49
    n-nonane 3.93
    undecane 3.62
    tert-butylcyclohexane 10.27
    cyclooctane 5.73
    cyclopentanol 810.78
    tetrahydropyran 968.77
    tert-amyl methyl ether 222.66
    2,5,8-trioxanonane 462.73
    1-hexene 69.89
    2-isopropoxyethanol 359.44
    2,2,2-trifluoroethanol 450.67
    methyl butyrate 466.19

    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