Benzoic acid, 2-ethoxy-, ethyl ester

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  • Identifiers

    CAS number
    6290-24-0

    Molecular formula
    C11H14O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 88.34%
    Floral 84.83%
    Sweet 77.09%
    Green 49.45%
    Herbal 47.83%
    Anisic 44.76%
    Cherry 40.6%
    Balsamic 38.72%
    Jasmin 38.07%
    Spicy 37.28%

     

    Flavor
    Fruity 67.24%
    Balsam 53.77%
    Floral 52.13%
    Bitter 46.13%
    Sweet 43.06%
    Grape 32.98%
    Strawberry 31.46%
    Plum 30.57%
    Wintergreen 30.42%
    Apricot 30.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.45 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point

    • 109.4 ˚C est.

  • Synonyms

    • Ethyl 2-ethoxybenzoate
    • 6290-24-0
    • 2-Ethoxybenzoic Acid Ethyl Ester
    • MFCD00142907
    • DTXSID20278183
    • 2-ethoxy benzoic acid ethyl ester
    • Benzoic acid, 2-ethoxy-, ethyl ester
    • Ethyl 2-Ethoxy-benzoate
    • Ethyl 2-ethoxybenzoate #
    • SCHEMBL536025
    • DTXCID10229341
    • NSC6584
    • NSC 6584
    • NSC-6584
    • AKOS008948359
    • AC-11541
    • AS-12039
    • SY052597
    • DB-054324
    • CS-0151456
    • E0413
    • D87677
    • 613-104-1

  • Applications

    Ethyl 2-ethoxybenzoate is commonly used as an aroma chemical and fragrance ingredient in perfumery and cosmetics, contributing fruity and floral notes. It is also considered as an intermediate for fragrance and flavor compounds. In addition, it can function as a solvent or processing aid in coatings, inks, and plastics formulations, and as an intermediate in polymer and plastics synthesis. It is often employed as an organic synthesis intermediate for pharmaceutical and other fine-chemical applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 478.23
    methanol 555.5
    isopropanol 318.81
    water 0.46
    ethyl acetate 606.78
    n-propanol 359.95
    acetone 1153.05
    n-butanol 341.64
    acetonitrile 658.63
    DMF 1903.35
    toluene 405.5
    isobutanol 261.7
    1,4-dioxane 947.11
    methyl acetate 643.55
    THF 1330.65
    2-butanone 639.97
    n-pentanol 222.85
    sec-butanol 282.38
    n-hexane 54.77
    ethylene glycol 174.5
    NMP 1820.88
    cyclohexane 199.87
    DMSO 1409.16
    n-butyl acetate 369.48
    n-octanol 158.06
    chloroform 2763.32
    n-propyl acetate 314.04
    acetic acid 828.13
    dichloromethane 3047.34
    cyclohexanone 1264.94
    propylene glycol 167.07
    isopropyl acetate 324.36
    DMAc 1185.46
    2-ethoxyethanol 321.84
    isopentanol 257.15
    n-heptane 38.63
    ethyl formate 511.53
    1,2-dichloroethane 1994.85
    n-hexanol 231.04
    2-methoxyethanol 732.94
    isobutyl acetate 199.73
    tetrachloromethane 325.69
    n-pentyl acetate 245.45
    transcutol 671.53
    n-heptanol 118.82
    ethylbenzene 211.28
    MIBK 275.83
    2-propoxyethanol 393.08
    tert-butanol 392.02
    MTBE 335.01
    2-butoxyethanol 211.98
    propionic acid 512.78
    o-xylene 240.95
    formic acid 223.32
    diethyl ether 441.94
    m-xylene 236.53
    p-xylene 267.11
    chlorobenzene 858.47
    dimethyl carbonate 413.75
    n-octane 24.11
    formamide 416.55
    cyclopentanone 1534.08
    2-pentanone 539.05
    anisole 402.11
    cyclopentyl methyl ether 607.15
    gamma-butyrolactone 1734.04
    1-methoxy-2-propanol 469.46
    pyridine 1298.35
    3-pentanone 463.39
    furfural 1361.84
    n-dodecane 25.83
    diethylene glycol 355.53
    diisopropyl ether 118.37
    tert-amyl alcohol 303.93
    acetylacetone 726.44
    n-hexadecane 30.05
    acetophenone 424.68
    methyl propionate 604.03
    isopentyl acetate 307.0
    trichloroethylene 3495.49
    n-nonanol 138.22
    cyclohexanol 494.76
    benzyl alcohol 356.51
    2-ethylhexanol 159.63
    isooctanol 99.0
    dipropyl ether 194.74
    1,2-dichlorobenzene 749.39
    ethyl lactate 185.44
    propylene carbonate 932.43
    n-methylformamide 764.79
    2-pentanol 203.37
    n-pentane 50.62
    1-propoxy-2-propanol 254.67
    1-methoxy-2-propyl acetate 342.68
    2-(2-methoxypropoxy) propanol 236.6
    mesitylene 153.85
    ε-caprolactone 875.2
    p-cymene 121.48
    epichlorohydrin 1752.48
    1,1,1-trichloroethane 1399.51
    2-aminoethanol 247.01
    morpholine-4-carbaldehyde 1056.47
    sulfolane 1940.04
    2,2,4-trimethylpentane 32.87
    2-methyltetrahydrofuran 849.84
    n-hexyl acetate 380.47
    isooctane 25.02
    2-(2-butoxyethoxy)ethanol 292.96
    sec-butyl acetate 200.94
    tert-butyl acetate 338.26
    decalin 79.41
    glycerin 255.05
    diglyme 628.89
    acrylic acid 565.64
    isopropyl myristate 150.24
    n-butyric acid 597.22
    acetyl acetate 497.11
    di(2-ethylhexyl) phthalate 157.6
    ethyl propionate 314.27
    nitromethane 1378.83
    1,2-diethoxyethane 297.7
    benzonitrile 559.64
    trioctyl phosphate 120.16
    1-bromopropane 790.83
    gamma-valerolactone 1382.14
    n-decanol 103.99
    triethyl phosphate 173.15
    4-methyl-2-pentanol 110.44
    propionitrile 500.09
    vinylene carbonate 911.76
    1,1,2-trichlorotrifluoroethane 1054.26
    DMS 387.96
    cumene 133.86
    2-octanol 97.51
    2-hexanone 310.73
    octyl acetate 204.95
    limonene 193.58
    1,2-dimethoxyethane 663.41
    ethyl orthosilicate 149.63
    tributyl phosphate 153.83
    diacetone alcohol 335.89
    N,N-dimethylaniline 265.25
    acrylonitrile 727.76
    aniline 512.04
    1,3-propanediol 359.03
    bromobenzene 972.86
    dibromomethane 1859.41
    1,1,2,2-tetrachloroethane 2512.84
    2-methyl-cyclohexyl acetate 247.17
    tetrabutyl urea 208.77
    diisobutyl methanol 99.95
    2-phenylethanol 305.68
    styrene 328.73
    dioctyl adipate 226.81
    dimethyl sulfate 645.81
    ethyl butyrate 292.17
    methyl lactate 304.92
    butyl lactate 191.44
    diethyl carbonate 260.64
    propanediol butyl ether 200.89
    triethyl orthoformate 196.68
    p-tert-butyltoluene 116.64
    methyl 4-tert-butylbenzoate 300.69
    morpholine 1004.34
    tert-butylamine 248.37
    n-dodecanol 83.37
    dimethoxymethane 852.27
    ethylene carbonate 726.85
    cyrene 308.69
    2-ethoxyethyl acetate 302.72
    2-ethylhexyl acetate 249.94
    1,2,4-trichlorobenzene 842.28
    4-methylpyridine 1016.36
    dibutyl ether 201.3
    2,6-dimethyl-4-heptanol 99.95
    DEF 770.22
    dimethyl isosorbide 433.42
    tetrachloroethylene 1563.39
    eugenol 292.99
    triacetin 334.47
    span 80 227.53
    1,4-butanediol 144.31
    1,1-dichloroethane 1536.11
    2-methyl-1-pentanol 199.35
    methyl formate 692.76
    2-methyl-1-butanol 260.5
    n-decane 37.92
    butyronitrile 493.46
    3,7-dimethyl-1-octanol 143.12
    1-chlorooctane 155.2
    1-chlorotetradecane 71.53
    n-nonane 37.71
    undecane 30.39
    tert-butylcyclohexane 57.84
    cyclooctane 50.0
    cyclopentanol 538.22
    tetrahydropyran 973.33
    tert-amyl methyl ether 266.11
    2,5,8-trioxanonane 428.43
    1-hexene 180.46
    2-isopropoxyethanol 223.33
    2,2,2-trifluoroethanol 287.71
    methyl butyrate 458.51

    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