Methyl 2-ethoxybenzoate

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  • Identifiers

    CAS number
    3686-55-3

    Molecular formula
    C10H12O3

    SMILES
    CCOC1=CC=CC=C1C(=O)OC

  • Odor profile

    Fragrance
    Fruity 85.87%
    Floral 79.08%
    Sweet 75.4%
    Herbal 53.15%
    Anisic 51.28%
    Cherry 43.53%
    Green 40.34%
    Spicy 34.54%
    Powdery 31.82%
    Grape 31.42%

     

    Flavor
    Fruity 70.33%
    Floral 59.5%
    Balsam 56.29%
    Sweet 45.59%
    Herbal 44.4%
    Bitter 35.13%
    Wintergreen 34.65%
    Grape 32.8%
    Strawberry 32.26%
    Flower 30.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.52 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 104.26 ˚C est.

  • Synonyms

    • Methyl 2-ethoxybenzoate
    • 3686-55-3
    • 2-Ethoxybenzoic Acid Methyl Ester
    • Methyl o-ethoxybenzoate
    • R 172 (The insectifuge)
    • NSC 406652
    • MFCD00017261
    • Benzoic acid, 2-ethoxy-, methyl ester
    • Benzoic acid, o-ethoxy-, methyl ester
    • SCHEMBL1989129
    • QAYQKAPOTVSWLS-UHFFFAOYSA-
    • DTXSID90324409
    • NSC406652
    • AKOS008904740
    • FM67703
    • NSC-406652
    • AS-57972
    • DB-049022
    • CS-0187475
    • M1785
    • R 172
    • D91532
    • Q63398875
    • InChI=1/C10H12O3/c1-3-13-9-7-5-4-6-8(9)10(11)12-2/h4-7H,3H2,1-2H3

  • Applications

    Methyl 2-ethoxybenzoate (CAS 3686-55-3) is mainly used as an intermediate in organic synthesis, enabling the preparation of other benzoate derivatives. In fragrance and cosmetics, it can function as a fragrance ingredient or odorant. In industry, it is used as a solvent or co-solvent for coatings, inks, and cleaning formulations. In polymer and plastics chemistry, it serves as a building block for specialty esters or as a reactive intermediate in polymer modification. In pharmaceutical or agrochemical research, it is often evaluated as a synthetic intermediate for target compounds, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 283.2
    methanol 398.44
    isopropanol 178.03
    water 0.54
    ethyl acetate 266.64
    n-propanol 199.88
    acetone 469.06
    n-butanol 180.02
    acetonitrile 349.15
    DMF 930.43
    toluene 200.92
    isobutanol 146.39
    1,4-dioxane 554.83
    methyl acetate 336.79
    THF 612.29
    2-butanone 315.97
    n-pentanol 137.64
    sec-butanol 161.51
    n-hexane 19.9
    ethylene glycol 159.97
    NMP 760.38
    cyclohexane 71.66
    DMSO 731.82
    n-butyl acetate 171.08
    n-octanol 92.79
    chloroform 1461.45
    n-propyl acetate 168.95
    acetic acid 394.41
    dichloromethane 1665.22
    cyclohexanone 555.74
    propylene glycol 110.97
    isopropyl acetate 131.42
    DMAc 586.68
    2-ethoxyethanol 252.84
    isopentanol 145.01
    n-heptane 19.14
    ethyl formate 293.44
    1,2-dichloroethane 958.23
    n-hexanol 144.3
    2-methoxyethanol 483.59
    isobutyl acetate 107.0
    tetrachloromethane 181.2
    n-pentyl acetate 115.04
    transcutol 342.43
    n-heptanol 80.08
    ethylbenzene 121.36
    MIBK 137.1
    2-propoxyethanol 256.22
    tert-butanol 236.65
    MTBE 173.52
    2-butoxyethanol 147.51
    propionic acid 257.06
    o-xylene 146.76
    formic acid 141.84
    diethyl ether 195.98
    m-xylene 139.08
    p-xylene 157.17
    chlorobenzene 385.39
    dimethyl carbonate 206.34
    n-octane 12.05
    formamide 263.68
    cyclopentanone 661.19
    2-pentanone 221.0
    anisole 240.47
    cyclopentyl methyl ether 252.18
    gamma-butyrolactone 750.58
    1-methoxy-2-propanol 274.83
    pyridine 588.79
    3-pentanone 204.38
    furfural 726.55
    n-dodecane 13.63
    diethylene glycol 279.99
    diisopropyl ether 52.84
    tert-amyl alcohol 187.11
    acetylacetone 311.73
    n-hexadecane 15.86
    acetophenone 247.23
    methyl propionate 273.76
    isopentyl acetate 151.24
    trichloroethylene 1719.15
    n-nonanol 81.23
    cyclohexanol 238.71
    benzyl alcohol 236.93
    2-ethylhexanol 97.73
    isooctanol 67.97
    dipropyl ether 99.82
    1,2-dichlorobenzene 351.88
    ethyl lactate 122.48
    propylene carbonate 423.5
    n-methylformamide 448.37
    2-pentanol 104.34
    n-pentane 19.5
    1-propoxy-2-propanol 150.28
    1-methoxy-2-propyl acetate 171.7
    2-(2-methoxypropoxy) propanol 146.5
    mesitylene 92.71
    ε-caprolactone 397.13
    p-cymene 74.96
    epichlorohydrin 895.14
    1,1,1-trichloroethane 677.95
    2-aminoethanol 184.88
    morpholine-4-carbaldehyde 575.96
    sulfolane 876.21
    2,2,4-trimethylpentane 16.86
    2-methyltetrahydrofuran 377.83
    n-hexyl acetate 180.59
    isooctane 12.87
    2-(2-butoxyethoxy)ethanol 183.04
    sec-butyl acetate 104.25
    tert-butyl acetate 157.59
    decalin 38.05
    glycerin 202.68
    diglyme 374.88
    acrylic acid 292.17
    isopropyl myristate 76.38
    n-butyric acid 288.79
    acetyl acetate 215.94
    di(2-ethylhexyl) phthalate 92.03
    ethyl propionate 158.53
    nitromethane 661.26
    1,2-diethoxyethane 145.47
    benzonitrile 316.81
    trioctyl phosphate 69.13
    1-bromopropane 343.9
    gamma-valerolactone 635.91
    n-decanol 63.35
    triethyl phosphate 103.02
    4-methyl-2-pentanol 64.72
    propionitrile 266.57
    vinylene carbonate 455.41
    1,1,2-trichlorotrifluoroethane 601.53
    DMS 187.2
    cumene 84.02
    2-octanol 57.92
    2-hexanone 164.15
    octyl acetate 102.97
    limonene 108.54
    1,2-dimethoxyethane 436.35
    ethyl orthosilicate 90.82
    tributyl phosphate 79.83
    diacetone alcohol 198.22
    N,N-dimethylaniline 166.57
    acrylonitrile 410.08
    aniline 275.91
    1,3-propanediol 238.62
    bromobenzene 427.9
    dibromomethane 941.74
    1,1,2,2-tetrachloroethane 1211.45
    2-methyl-cyclohexyl acetate 138.81
    tetrabutyl urea 110.1
    diisobutyl methanol 62.91
    2-phenylethanol 188.75
    styrene 172.45
    dioctyl adipate 123.42
    dimethyl sulfate 333.24
    ethyl butyrate 154.83
    methyl lactate 174.88
    butyl lactate 103.88
    diethyl carbonate 143.48
    propanediol butyl ether 128.02
    triethyl orthoformate 110.56
    p-tert-butyltoluene 71.34
    methyl 4-tert-butylbenzoate 181.11
    morpholine 554.61
    tert-butylamine 140.38
    n-dodecanol 52.05
    dimethoxymethane 444.44
    ethylene carbonate 347.22
    cyrene 209.37
    2-ethoxyethyl acetate 153.0
    2-ethylhexyl acetate 125.58
    1,2,4-trichlorobenzene 407.87
    4-methylpyridine 485.89
    dibutyl ether 92.7
    2,6-dimethyl-4-heptanol 62.91
    DEF 356.85
    dimethyl isosorbide 253.38
    tetrachloroethylene 778.88
    eugenol 184.81
    triacetin 172.27
    span 80 133.94
    1,4-butanediol 112.16
    1,1-dichloroethane 697.09
    2-methyl-1-pentanol 126.87
    methyl formate 426.39
    2-methyl-1-butanol 145.33
    n-decane 19.3
    butyronitrile 249.69
    3,7-dimethyl-1-octanol 85.64
    1-chlorooctane 83.17
    1-chlorotetradecane 40.15
    n-nonane 18.36
    undecane 15.84
    tert-butylcyclohexane 29.77
    cyclooctane 20.49
    cyclopentanol 258.61
    tetrahydropyran 434.69
    tert-amyl methyl ether 139.85
    2,5,8-trioxanonane 271.26
    1-hexene 76.39
    2-isopropoxyethanol 164.25
    2,2,2-trifluoroethanol 159.63
    methyl butyrate 233.86

    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