Propan-2-yl 2-(methylamino)benzoate

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  • Identifiers

    CAS number
    99985-64-5

    Molecular formula
    C11H15NO2

    SMILES
    CC(C)OC(=O)C1=CC=CC=C1NC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Grape 70.21%
    Fruity 51.31%
    Floral 43.23%
    Sweet 36.47%
    Citrus 30.76%
    Neroli 30.62%
    Animal 28.93%
    Orange 26.77%
    Grapefruit 25.38%
    Berry 24.03%

     

    Flavor
    Fruity 85.98%
    Sweet 60.37%
    Grape 49.42%
    Floral 44.0%
    Berry 34.47%
    Powdery 32.15%
    Bitter 30.28%
    Tropical 27.93%
    Herbal 26.65%
    Musty 26.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.38 (neutral)

    Molecular weight
    193.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point

    • 120.44 ˚C est.

  • Synonyms

    • 99985-64-5
    • propan-2-yl 2-(methylamino)benzoate
    • 2-(METHYLAMINO)-BENZOIC ACID ISOPROPYL ESTER
    • Isopropyl 2-(methylamino)benzoate
    • DTXSID40341186
    • isopropyl N-methylanthranilate
    • iso-Propyl N-methyl anthranilate
    • Isopropyl2-(methylamino)benzoate
    • DTXCID60292267
    • OBKVPPPSOAFJDS-UHFFFAOYSA-N
    • ZDA98564
    • Isopropyl 2-(methylamino)benzoate #
    • AKOS008947887
    • DB-334331
    • CS-0257678
    • EN300-67557
    • G37275
    • Q63398239
    • Z54849703
    • 985-102-1

  • Applications

    Propan-2-yl 2-(methylamino)benzoate, CAS 99985-64-5, is an isopropyl ester of 2-(methylamino)benzoic acid bearing an ortho-amino substituent; in practice it is primarily used as an intermediate in organic synthesis, serving as a building block for pharmaceutical-related compounds and for further functionalized benzoate derivatives. It is also evaluated in fragrance and cosmetics chemistry as a precursor to aromatic amine-benzoate motifs that can be transformed into fragrance ingredients or cosmetic intermediates. In coatings, inks and polymer-related applications, the compound can function as a functionalized benzoate intermediate, enabling coupling and surface-modification steps in formulations. In polymer science, it may be employed as a precursor for functionalized monomers or crosslinking building blocks to tailor material properties. In industrial manufacturing contexts, it is typically used within controlled formulations as an intermediate, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 302.72
    methanol 470.11
    isopropanol 249.07
    water 2.12
    ethyl acetate 108.04
    n-propanol 259.71
    acetone 262.07
    n-butanol 235.1
    acetonitrile 121.98
    DMF 925.13
    toluene 63.38
    isobutanol 194.06
    1,4-dioxane 331.55
    methyl acetate 129.9
    THF 499.76
    2-butanone 151.85
    n-pentanol 163.68
    sec-butanol 189.67
    n-hexane 12.51
    ethylene glycol 154.82
    NMP 606.89
    cyclohexane 30.23
    DMSO 480.53
    n-butyl acetate 91.06
    n-octanol 76.46
    chloroform 672.73
    n-propyl acetate 69.07
    acetic acid 400.54
    dichloromethane 484.43
    cyclohexanone 336.79
    propylene glycol 206.28
    isopropyl acetate 69.5
    DMAc 549.89
    2-ethoxyethanol 156.78
    isopentanol 161.74
    n-heptane 7.06
    ethyl formate 128.34
    1,2-dichloroethane 284.51
    n-hexanol 155.25
    2-methoxyethanol 359.24
    isobutyl acetate 55.21
    tetrachloromethane 62.19
    n-pentyl acetate 61.59
    transcutol 225.93
    n-heptanol 70.19
    ethylbenzene 42.9
    MIBK 81.76
    2-propoxyethanol 215.72
    tert-butanol 229.81
    MTBE 107.33
    2-butoxyethanol 107.29
    propionic acid 229.52
    o-xylene 51.31
    formic acid 172.66
    diethyl ether 105.08
    m-xylene 50.89
    p-xylene 58.72
    chlorobenzene 154.88
    dimethyl carbonate 90.69
    n-octane 4.62
    formamide 173.5
    cyclopentanone 405.61
    2-pentanone 121.95
    anisole 95.82
    cyclopentyl methyl ether 167.37
    gamma-butyrolactone 440.27
    1-methoxy-2-propanol 250.72
    pyridine 259.18
    3-pentanone 104.87
    furfural 359.77
    n-dodecane 5.7
    diethylene glycol 213.03
    diisopropyl ether 28.31
    tert-amyl alcohol 172.88
    acetylacetone 147.71
    n-hexadecane 6.48
    acetophenone 100.98
    methyl propionate 125.6
    isopentyl acetate 88.79
    trichloroethylene 599.89
    n-nonanol 64.69
    cyclohexanol 223.43
    benzyl alcohol 113.85
    2-ethylhexanol 73.34
    isooctanol 55.36
    dipropyl ether 51.69
    1,2-dichlorobenzene 138.24
    ethyl lactate 77.0
    propylene carbonate 241.26
    n-methylformamide 278.34
    2-pentanol 125.36
    n-pentane 12.25
    1-propoxy-2-propanol 127.26
    1-methoxy-2-propyl acetate 101.99
    2-(2-methoxypropoxy) propanol 104.92
    mesitylene 33.97
    ε-caprolactone 237.54
    p-cymene 32.17
    epichlorohydrin 389.15
    1,1,1-trichloroethane 235.67
    2-aminoethanol 236.92
    morpholine-4-carbaldehyde 366.25
    sulfolane 520.39
    2,2,4-trimethylpentane 10.09
    2-methyltetrahydrofuran 250.42
    n-hexyl acetate 102.5
    isooctane 6.68
    2-(2-butoxyethoxy)ethanol 132.9
    sec-butyl acetate 49.74
    tert-butyl acetate 82.18
    decalin 15.14
    glycerin 242.28
    diglyme 210.84
    acrylic acid 243.07
    isopropyl myristate 41.85
    n-butyric acid 259.78
    acetyl acetate 96.1
    di(2-ethylhexyl) phthalate 63.32
    ethyl propionate 70.13
    nitromethane 340.84
    1,2-diethoxyethane 70.99
    benzonitrile 126.97
    trioctyl phosphate 47.31
    1-bromopropane 133.41
    gamma-valerolactone 408.7
    n-decanol 48.34
    triethyl phosphate 54.19
    4-methyl-2-pentanol 66.44
    propionitrile 128.42
    vinylene carbonate 234.09
    1,1,2-trichlorotrifluoroethane 356.48
    DMS 91.51
    cumene 33.75
    2-octanol 50.47
    2-hexanone 87.66
    octyl acetate 60.6
    limonene 49.49
    1,2-dimethoxyethane 242.5
    ethyl orthosilicate 50.21
    tributyl phosphate 50.65
    diacetone alcohol 128.15
    N,N-dimethylaniline 76.62
    acrylonitrile 167.42
    aniline 127.76
    1,3-propanediol 258.54
    bromobenzene 142.83
    dibromomethane 303.55
    1,1,2,2-tetrachloroethane 495.25
    2-methyl-cyclohexyl acetate 78.53
    tetrabutyl urea 72.22
    diisobutyl methanol 42.15
    2-phenylethanol 107.29
    styrene 56.94
    dioctyl adipate 68.35
    dimethyl sulfate 169.04
    ethyl butyrate 68.87
    methyl lactate 126.02
    butyl lactate 73.49
    diethyl carbonate 61.78
    propanediol butyl ether 124.92
    triethyl orthoformate 58.54
    p-tert-butyltoluene 31.6
    methyl 4-tert-butylbenzoate 102.81
    morpholine 372.51
    tert-butylamine 119.26
    n-dodecanol 36.95
    dimethoxymethane 247.31
    ethylene carbonate 185.58
    cyrene 141.55
    2-ethoxyethyl acetate 73.66
    2-ethylhexyl acetate 69.36
    1,2,4-trichlorobenzene 165.4
    4-methylpyridine 216.79
    dibutyl ether 49.09
    2,6-dimethyl-4-heptanol 42.15
    DEF 196.51
    dimethyl isosorbide 162.02
    tetrachloroethylene 303.0
    eugenol 115.43
    triacetin 89.55
    span 80 109.27
    1,4-butanediol 127.98
    1,1-dichloroethane 256.99
    2-methyl-1-pentanol 129.93
    methyl formate 211.72
    2-methyl-1-butanol 168.09
    n-decane 8.51
    butyronitrile 148.26
    3,7-dimethyl-1-octanol 60.1
    1-chlorooctane 41.9
    1-chlorotetradecane 18.27
    n-nonane 7.77
    undecane 6.84
    tert-butylcyclohexane 13.14
    cyclooctane 7.76
    cyclopentanol 255.48
    tetrahydropyran 286.51
    tert-amyl methyl ether 84.85
    2,5,8-trioxanonane 158.27
    1-hexene 50.89
    2-isopropoxyethanol 109.59
    2,2,2-trifluoroethanol 147.21
    methyl butyrate 105.78

    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