4-Methylphenyl 2-aminobenzoate

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  • Identifiers

    CAS number
    100669-97-4

    Molecular formula
    C14H13NO2

    SMILES
    CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2N

  • Odor profile

    Fragrance
    Floral 87.97%
    Grape 71.38%
    Neroli 61.27%
    Fruity 60.78%
    Orange 57.1%
    Sweet 53.96%
    Honey 42.8%
    Animal 39.27%
    Rose 36.5%
    Lily 35.13%

     

    Flavor
    Sweet 54.07%
    Bitter 41.72%
    Fruity 39.0%
    Powdery 36.5%
    Phenolic 35.65%
    Floral 34.81%
    Balsam 34.64%
    Wintergreen 32.99%
    Honey 31.76%
    Mild 31.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.43 (neutral)

    Molecular weight
    227.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 179.66 ˚C est.

  • Synonyms

    • 4-methylphenyl 2-aminobenzoate
    • (4-methylphenyl) 2-aminobenzoate
    • 100669-97-4
    • 4-Methylphenyl anthranilate
    • SCHEMBL4249306
    • AKOS022656175

  • Applications

    4-Methylphenyl 2-aminobenzoate (CAS 100669-97-4) is primarily used as a fragrance ingredient and fixative in the perfume and cosmetics industries, functioning as an odorant and aroma extender in consumer fragrance and personal care formulations. It is also commonly employed as an intermediate in the synthesis of aromatic compounds for the chemical and materials sector. In coatings and inks, it may appear as a specialty additive to modulate scent or influence volatility. Additionally, it can act as an intermediate in the production of polymers/plastics and other industrial products, depending on local regulations and formulation constraints. Applications are subject to safety considerations and regulatory limits in each market.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 350.46
    methanol 426.55
    isopropanol 175.71
    water 0.05
    ethyl acetate 568.72
    n-propanol 329.25
    acetone 514.87
    n-butanol 249.05
    acetonitrile 525.19
    DMF 791.26
    toluene 151.91
    isobutanol 149.4
    1,4-dioxane 673.04
    methyl acetate 477.58
    THF 955.11
    2-butanone 625.57
    n-pentanol 129.23
    sec-butanol 201.11
    n-hexane 1.25
    ethylene glycol 31.54
    NMP 307.81
    cyclohexane 3.15
    DMSO 986.57
    n-butyl acetate 172.62
    n-octanol 20.6
    chloroform 548.13
    n-propyl acetate 166.49
    acetic acid 223.15
    dichloromethane 487.2
    cyclohexanone 388.58
    propylene glycol 112.04
    isopropyl acetate 182.65
    DMAc 791.13
    2-ethoxyethanol 261.74
    isopentanol 145.13
    n-heptane 1.22
    ethyl formate 214.69
    1,2-dichloroethane 499.91
    n-hexanol 98.56
    2-methoxyethanol 713.32
    isobutyl acetate 81.85
    tetrachloromethane 13.79
    n-pentyl acetate 51.0
    transcutol 831.49
    n-heptanol 32.71
    ethylbenzene 41.85
    MIBK 145.83
    2-propoxyethanol 266.3
    tert-butanol 156.74
    MTBE 131.4
    2-butoxyethanol 111.71
    propionic acid 179.86
    o-xylene 47.03
    formic acid 87.27
    diethyl ether 262.99
    m-xylene 53.77
    p-xylene 46.14
    chlorobenzene 172.48
    dimethyl carbonate 184.8
    n-octane 0.51
    formamide 305.69
    cyclopentanone 539.82
    2-pentanone 374.44
    anisole 184.32
    cyclopentyl methyl ether 203.91
    gamma-butyrolactone 549.87
    1-methoxy-2-propanol 446.98
    pyridine 635.09
    3-pentanone 269.37
    furfural 414.4
    n-dodecane 0.86
    diethylene glycol 183.7
    diisopropyl ether 27.29
    tert-amyl alcohol 131.85
    acetylacetone 401.72
    n-hexadecane 1.01
    acetophenone 138.69
    methyl propionate 411.21
    isopentyl acetate 130.54
    trichloroethylene 879.0
    n-nonanol 21.56
    cyclohexanol 117.74
    benzyl alcohol 135.52
    2-ethylhexanol 42.91
    isooctanol 26.01
    dipropyl ether 56.57
    1,2-dichlorobenzene 118.83
    ethyl lactate 79.66
    propylene carbonate 238.36
    n-methylformamide 429.12
    2-pentanol 99.03
    n-pentane 1.1
    1-propoxy-2-propanol 151.7
    1-methoxy-2-propyl acetate 185.82
    2-(2-methoxypropoxy) propanol 122.26
    mesitylene 21.93
    ε-caprolactone 283.05
    p-cymene 18.2
    epichlorohydrin 914.58
    1,1,1-trichloroethane 194.6
    2-aminoethanol 147.37
    morpholine-4-carbaldehyde 391.25
    sulfolane 473.01
    2,2,4-trimethylpentane 1.81
    2-methyltetrahydrofuran 389.02
    n-hexyl acetate 66.03
    isooctane 1.64
    2-(2-butoxyethoxy)ethanol 202.74
    sec-butyl acetate 97.91
    tert-butyl acetate 145.41
    decalin 2.93
    glycerin 137.19
    diglyme 413.45
    acrylic acid 148.85
    isopropyl myristate 27.71
    n-butyric acid 265.26
    acetyl acetate 202.16
    di(2-ethylhexyl) phthalate 32.96
    ethyl propionate 161.96
    nitromethane 744.02
    1,2-diethoxyethane 190.83
    benzonitrile 159.46
    trioctyl phosphate 20.51
    1-bromopropane 158.64
    gamma-valerolactone 639.52
    n-decanol 17.18
    triethyl phosphate 44.28
    4-methyl-2-pentanol 46.9
    propionitrile 332.86
    vinylene carbonate 212.26
    1,1,2-trichlorotrifluoroethane 358.12
    DMS 102.79
    cumene 20.92
    2-octanol 16.01
    2-hexanone 171.25
    octyl acetate 36.81
    limonene 25.79
    1,2-dimethoxyethane 481.57
    ethyl orthosilicate 39.86
    tributyl phosphate 28.81
    diacetone alcohol 207.57
    N,N-dimethylaniline 69.4
    acrylonitrile 441.96
    aniline 232.76
    1,3-propanediol 261.1
    bromobenzene 157.74
    dibromomethane 267.85
    1,1,2,2-tetrachloroethane 666.63
    2-methyl-cyclohexyl acetate 64.93
    tetrabutyl urea 40.63
    diisobutyl methanol 23.64
    2-phenylethanol 114.25
    styrene 70.35
    dioctyl adipate 49.96
    dimethyl sulfate 202.49
    ethyl butyrate 108.34
    methyl lactate 159.4
    butyl lactate 59.02
    diethyl carbonate 78.11
    propanediol butyl ether 91.45
    triethyl orthoformate 65.34
    p-tert-butyltoluene 17.46
    methyl 4-tert-butylbenzoate 75.25
    morpholine 966.54
    tert-butylamine 59.3
    n-dodecanol 13.38
    dimethoxymethane 627.76
    ethylene carbonate 172.54
    cyrene 103.91
    2-ethoxyethyl acetate 118.38
    2-ethylhexyl acetate 89.89
    1,2,4-trichlorobenzene 147.62
    4-methylpyridine 462.01
    dibutyl ether 36.01
    2,6-dimethyl-4-heptanol 23.64
    DEF 350.28
    dimethyl isosorbide 196.42
    tetrachloroethylene 242.06
    eugenol 89.54
    triacetin 80.59
    span 80 76.27
    1,4-butanediol 56.81
    1,1-dichloroethane 336.74
    2-methyl-1-pentanol 99.36
    methyl formate 253.01
    2-methyl-1-butanol 143.31
    n-decane 1.15
    butyronitrile 282.27
    3,7-dimethyl-1-octanol 30.55
    1-chlorooctane 11.15
    1-chlorotetradecane 5.17
    n-nonane 0.84
    undecane 0.97
    tert-butylcyclohexane 2.76
    cyclooctane 0.88
    cyclopentanol 129.16
    tetrahydropyran 505.25
    tert-amyl methyl ether 94.35
    2,5,8-trioxanonane 256.26
    1-hexene 18.82
    2-isopropoxyethanol 139.29
    2,2,2-trifluoroethanol 58.64
    methyl butyrate 209.18

    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