Methyl 2-(ethylamino)benzoate

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  • Identifiers

    CAS number
    17318-49-9

    Molecular formula
    C10H13NO2

    SMILES
    CCNC1=CC=CC=C1C(=O)OC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Grape 75.8%
    Fruity 51.43%
    Citrus 48.5%
    Floral 45.21%
    Orange 34.93%
    Sweet 33.68%
    Neroli 33.22%
    Grapefruit 33.02%
    Animal 24.23%
    Winey 22.33%

     

    Flavor
    Fruity 83.11%
    Grape 52.23%
    Sweet 51.13%
    Floral 45.41%
    Powdery 34.39%
    Berry 33.1%
    Wine 31.83%
    Mild 29.04%
    Strawberry 28.84%
    Musty 28.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.89 (weak acid)

    Molecular weight
    179.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point

    • 125.3 ˚C est.

  • Synonyms

    • methyl 2-(ethylamino)benzoate
    • 17318-49-9
    • methyl N-ethylanthranilate
    • methyl2-(ethylamino)benzoate
    • SCHEMBL1903514
    • BRBHQHMXEKVTRR-UHFFFAOYSA-N
    • SAA31849
    • AKOS002665766
    • CS-0261588
    • EN300-79138
    • G44474
    • Z111833748
    • 824-806-4

  • Applications

    Methyl 2-(ethylamino)benzoate is mainly used as an organic synthesis intermediate. It serves as a building block for preparing aromatic amines and heterocyclic compounds, and is employed in the manufacture of pharmaceutical and agrochemical intermediates. The compound also functions as a fragrance intermediate in perfumery, providing an o-aminobenzoate scaffold that can be derivatized to form fragrance formulations. In coatings and inks, it is used as a precursor to dyes or functional additives, while in polymer and plastics chemistry it can serve as a route to functional monomers or crosslinking agents. Overall, its applications are centered in R&D and manufacturing settings across chemical and materials industries, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 188.37
    methanol 298.69
    isopropanol 114.55
    water 0.66
    ethyl acetate 81.78
    n-propanol 137.13
    acetone 205.85
    n-butanol 115.54
    acetonitrile 95.84
    DMF 804.69
    toluene 50.95
    isobutanol 96.73
    1,4-dioxane 226.5
    methyl acetate 103.1
    THF 273.62
    2-butanone 126.9
    n-pentanol 93.78
    sec-butanol 89.09
    n-hexane 3.19
    ethylene glycol 134.24
    NMP 545.37
    cyclohexane 10.07
    DMSO 573.42
    n-butyl acetate 67.8
    n-octanol 45.61
    chloroform 525.17
    n-propyl acetate 58.12
    acetic acid 237.94
    dichloromethane 572.4
    cyclohexanone 268.93
    propylene glycol 110.8
    isopropyl acetate 49.43
    DMAc 401.84
    2-ethoxyethanol 138.38
    isopentanol 84.44
    n-heptane 3.39
    ethyl formate 119.54
    1,2-dichloroethane 318.02
    n-hexanol 80.55
    2-methoxyethanol 310.07
    isobutyl acetate 42.26
    tetrachloromethane 48.89
    n-pentyl acetate 47.38
    transcutol 162.04
    n-heptanol 46.5
    ethylbenzene 32.94
    MIBK 62.35
    2-propoxyethanol 144.98
    tert-butanol 115.5
    MTBE 63.55
    2-butoxyethanol 83.58
    propionic acid 148.07
    o-xylene 46.3
    formic acid 113.33
    diethyl ether 58.51
    m-xylene 43.11
    p-xylene 43.1
    chlorobenzene 130.11
    dimethyl carbonate 88.23
    n-octane 2.48
    formamide 163.38
    cyclopentanone 330.23
    2-pentanone 95.81
    anisole 78.8
    cyclopentyl methyl ether 100.0
    gamma-butyrolactone 383.95
    1-methoxy-2-propanol 175.16
    pyridine 219.46
    3-pentanone 78.79
    furfural 356.54
    n-dodecane 3.4
    diethylene glycol 170.64
    diisopropyl ether 16.45
    tert-amyl alcohol 90.0
    acetylacetone 130.83
    n-hexadecane 3.98
    acetophenone 96.84
    methyl propionate 106.6
    isopentyl acetate 65.41
    trichloroethylene 643.55
    n-nonanol 40.1
    cyclohexanol 109.94
    benzyl alcohol 102.09
    2-ethylhexanol 48.69
    isooctanol 38.79
    dipropyl ether 31.07
    1,2-dichlorobenzene 126.93
    ethyl lactate 63.96
    propylene carbonate 221.72
    n-methylformamide 284.45
    2-pentanol 53.96
    n-pentane 3.43
    1-propoxy-2-propanol 84.97
    1-methoxy-2-propyl acetate 81.69
    2-(2-methoxypropoxy) propanol 71.76
    mesitylene 29.57
    ε-caprolactone 186.2
    p-cymene 27.17
    epichlorohydrin 398.67
    1,1,1-trichloroethane 191.98
    2-aminoethanol 164.9
    morpholine-4-carbaldehyde 335.2
    sulfolane 562.4
    2,2,4-trimethylpentane 5.03
    2-methyltetrahydrofuran 155.38
    n-hexyl acetate 73.07
    isooctane 3.66
    2-(2-butoxyethoxy)ethanol 96.21
    sec-butyl acetate 38.45
    tert-butyl acetate 62.19
    decalin 8.01
    glycerin 175.38
    diglyme 178.56
    acrylic acid 179.15
    isopropyl myristate 30.36
    n-butyric acid 162.32
    acetyl acetate 72.78
    di(2-ethylhexyl) phthalate 46.31
    ethyl propionate 55.2
    nitromethane 311.96
    1,2-diethoxyethane 53.56
    benzonitrile 121.86
    trioctyl phosphate 35.86
    1-bromopropane 102.01
    gamma-valerolactone 354.29
    n-decanol 31.31
    triethyl phosphate 42.82
    4-methyl-2-pentanol 36.26
    propionitrile 94.35
    vinylene carbonate 223.81
    1,1,2-trichlorotrifluoroethane 336.91
    DMS 74.56
    cumene 27.24
    2-octanol 30.46
    2-hexanone 65.38
    octyl acetate 43.23
    limonene 39.41
    1,2-dimethoxyethane 187.99
    ethyl orthosilicate 38.53
    tributyl phosphate 37.19
    diacetone alcohol 101.97
    N,N-dimethylaniline 63.59
    acrylonitrile 163.14
    aniline 109.05
    1,3-propanediol 176.88
    bromobenzene 131.23
    dibromomethane 307.82
    1,1,2,2-tetrachloroethane 471.28
    2-methyl-cyclohexyl acetate 60.8
    tetrabutyl urea 54.15
    diisobutyl methanol 29.63
    2-phenylethanol 87.77
    styrene 45.27
    dioctyl adipate 50.63
    dimethyl sulfate 175.89
    ethyl butyrate 53.98
    methyl lactate 107.28
    butyl lactate 55.45
    diethyl carbonate 48.15
    propanediol butyl ether 82.57
    triethyl orthoformate 44.04
    p-tert-butyltoluene 25.73
    methyl 4-tert-butylbenzoate 85.94
    morpholine 258.77
    tert-butylamine 59.75
    n-dodecanol 24.69
    dimethoxymethane 222.67
    ethylene carbonate 163.13
    cyrene 121.03
    2-ethoxyethyl acetate 62.37
    2-ethylhexyl acetate 51.34
    1,2,4-trichlorobenzene 152.11
    4-methylpyridine 180.86
    dibutyl ether 30.34
    2,6-dimethyl-4-heptanol 29.63
    DEF 170.55
    dimethyl isosorbide 126.39
    tetrachloroethylene 279.76
    eugenol 94.14
    triacetin 73.54
    span 80 73.86
    1,4-butanediol 88.59
    1,1-dichloroethane 226.68
    2-methyl-1-pentanol 75.85
    methyl formate 228.24
    2-methyl-1-butanol 86.24
    n-decane 4.74
    butyronitrile 98.82
    3,7-dimethyl-1-octanol 38.64
    1-chlorooctane 28.89
    1-chlorotetradecane 12.93
    n-nonane 4.04
    undecane 3.94
    tert-butylcyclohexane 7.27
    cyclooctane 3.17
    cyclopentanol 141.06
    tetrahydropyran 157.97
    tert-amyl methyl ether 53.08
    2,5,8-trioxanonane 128.46
    1-hexene 18.91
    2-isopropoxyethanol 85.78
    2,2,2-trifluoroethanol 97.27
    methyl butyrate 88.69

    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