Ethyl 2-acetoxybenzoate

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  • Identifiers

    CAS number
    529-68-0

    Molecular formula
    C11H12O4

    SMILES
    CCOC(=O)C1=CC=CC=C1OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 63.07%
    Fruity 61.33%
    Phenolic 39.08%
    Grape 34.98%
    Sweet 34.95%
    Odorless 32.23%
    Herbal 31.89%
    Balsamic 31.77%
    Winey 30.7%
    Green 29.82%

     

    Flavor
    Sweet 68.47%
    Floral 58.87%
    Fruity 52.53%
    Balsam 37.17%
    Powdery 36.41%
    Bitter 33.61%
    Wintergreen 31.67%
    Grape 30.28%
    Mild 27.25%
    Herbal 27.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.85 (neutral)

    Molecular weight
    208.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 134.3 ˚C est.

  • Synonyms

    • Ethyl 2-acetoxybenzoate
    • 529-68-0
    • ETHYL ACETYLSALICYLATE
    • VX19C5613T
    • DTXSID60200948
    • RefChem:1084783
    • DTXCID90123439
    • 208-467-4
    • ethyl 2-acetyloxybenzoate
    • Acetylsalicylic Acid Ethyl Ester
    • ethyl 2-(acetyloxy)benzoate
    • MFCD00026824
    • 2-Acetoxybenzoic Acid Ethyl Ester
    • Ethyl O-acetylsalicylate
    • UNII-VX19C5613T
    • EINECS 208-467-4
    • AI3-05003
    • Ethyl 2-acetoxybenzoate, 98%
    • SCHEMBL1872604
    • SCHEMBL2721050
    • SCHEMBL7476308
    • SCHEMBL7945823
    • SCHEMBL30186934
    • UYDSGXAKLVZWIJ-UHFFFAOYSA-N
    • AKOS015888374
    • AS-57969
    • SY053507
    • Benzoic acid, 2-(acetyloxy)-, ethyl ester
    • DB-052227
    • CS-0327062
    • NS00032629
    • D88454
    • F726707
    • Q27292061
    • 529-68-0

  • Applications

    Ethyl 2-acetoxybenzoate (CAS 529-68-0) is used primarily as an aroma chemical and as an intermediate in organic synthesis. In perfumery, it acts as a scent ingredient and can be incorporated into cosmetics and personal care formulations for fragrance. It may also find use as a flavor/aroma compound in food processing and beverage applications. In industrial settings, it serves as an intermediate for preparing related benzoate derivatives and can be used as a fragrance additive in coatings, inks, and cleaning products. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 127.05
    methanol 194.82
    isopropanol 86.17
    water 0.65
    ethyl acetate 198.17
    n-propanol 85.1
    acetone 489.75
    n-butanol 80.93
    acetonitrile 198.68
    DMF 1158.22
    toluene 56.2
    isobutanol 64.09
    1,4-dioxane 363.43
    methyl acetate 233.49
    THF 634.32
    2-butanone 214.84
    n-pentanol 62.42
    sec-butanol 72.97
    n-hexane 5.64
    ethylene glycol 69.2
    NMP 1116.2
    cyclohexane 8.02
    DMSO 983.07
    n-butyl acetate 113.11
    n-octanol 43.78
    chloroform 407.81
    n-propyl acetate 112.59
    acetic acid 362.04
    dichloromethane 482.79
    cyclohexanone 365.46
    propylene glycol 67.26
    isopropyl acetate 115.16
    DMAc 950.41
    2-ethoxyethanol 149.3
    isopentanol 73.43
    n-heptane 3.16
    ethyl formate 146.23
    1,2-dichloroethane 333.05
    n-hexanol 56.2
    2-methoxyethanol 316.84
    isobutyl acetate 72.42
    tetrachloromethane 24.7
    n-pentyl acetate 72.06
    transcutol 340.33
    n-heptanol 29.33
    ethylbenzene 50.44
    MIBK 108.58
    2-propoxyethanol 167.26
    tert-butanol 143.5
    MTBE 101.34
    2-butoxyethanol 74.43
    propionic acid 171.78
    o-xylene 56.41
    formic acid 140.44
    diethyl ether 101.06
    m-xylene 53.82
    p-xylene 67.71
    chlorobenzene 154.41
    dimethyl carbonate 184.57
    n-octane 2.33
    formamide 242.36
    cyclopentanone 592.01
    2-pentanone 178.66
    anisole 151.42
    cyclopentyl methyl ether 197.43
    gamma-butyrolactone 743.65
    1-methoxy-2-propanol 213.04
    pyridine 256.37
    3-pentanone 139.51
    furfural 573.93
    n-dodecane 4.2
    diethylene glycol 181.44
    diisopropyl ether 29.53
    tert-amyl alcohol 107.19
    acetylacetone 320.44
    n-hexadecane 4.99
    acetophenone 175.68
    methyl propionate 227.73
    isopentyl acetate 99.23
    trichloroethylene 649.73
    n-nonanol 40.74
    cyclohexanol 108.31
    benzyl alcohol 127.23
    2-ethylhexanol 43.88
    isooctanol 27.29
    dipropyl ether 48.78
    1,2-dichlorobenzene 150.29
    ethyl lactate 88.79
    propylene carbonate 346.5
    n-methylformamide 330.94
    2-pentanol 51.15
    n-pentane 3.62
    1-propoxy-2-propanol 107.86
    1-methoxy-2-propyl acetate 147.65
    2-(2-methoxypropoxy) propanol 131.53
    mesitylene 38.95
    ε-caprolactone 307.84
    p-cymene 32.44
    epichlorohydrin 602.84
    1,1,1-trichloroethane 199.6
    2-aminoethanol 88.32
    morpholine-4-carbaldehyde 620.08
    sulfolane 946.88
    2,2,4-trimethylpentane 5.35
    2-methyltetrahydrofuran 306.52
    n-hexyl acetate 117.4
    isooctane 3.63
    2-(2-butoxyethoxy)ethanol 137.63
    sec-butyl acetate 75.87
    tert-butyl acetate 131.52
    decalin 11.93
    glycerin 143.03
    diglyme 266.7
    acrylic acid 209.52
    isopropyl myristate 49.93
    n-butyric acid 176.2
    acetyl acetate 180.65
    di(2-ethylhexyl) phthalate 63.92
    ethyl propionate 124.95
    nitromethane 739.67
    1,2-diethoxyethane 105.66
    benzonitrile 164.35
    trioctyl phosphate 41.45
    1-bromopropane 104.64
    gamma-valerolactone 637.78
    n-decanol 32.52
    triethyl phosphate 68.88
    4-methyl-2-pentanol 36.86
    propionitrile 119.58
    vinylene carbonate 314.42
    1,1,2-trichlorotrifluoroethane 379.13
    DMS 169.7
    cumene 40.39
    2-octanol 25.71
    2-hexanone 115.19
    octyl acetate 65.63
    limonene 46.25
    1,2-dimethoxyethane 307.77
    ethyl orthosilicate 58.53
    tributyl phosphate 58.55
    diacetone alcohol 168.49
    N,N-dimethylaniline 110.21
    acrylonitrile 202.58
    aniline 119.88
    1,3-propanediol 127.25
    bromobenzene 152.17
    dibromomethane 260.57
    1,1,2,2-tetrachloroethane 442.84
    2-methyl-cyclohexyl acetate 90.0
    tetrabutyl urea 84.27
    diisobutyl methanol 29.6
    2-phenylethanol 98.66
    styrene 68.08
    dioctyl adipate 84.41
    dimethyl sulfate 390.29
    ethyl butyrate 90.79
    methyl lactate 161.48
    butyl lactate 72.14
    diethyl carbonate 83.22
    propanediol butyl ether 93.86
    triethyl orthoformate 69.26
    p-tert-butyltoluene 32.01
    methyl 4-tert-butylbenzoate 130.08
    morpholine 363.41
    tert-butylamine 65.36
    n-dodecanol 26.69
    dimethoxymethane 398.68
    ethylene carbonate 228.81
    cyrene 179.19
    2-ethoxyethyl acetate 114.33
    2-ethylhexyl acetate 77.8
    1,2,4-trichlorobenzene 193.41
    4-methylpyridine 291.03
    dibutyl ether 54.72
    2,6-dimethyl-4-heptanol 29.6
    DEF 283.67
    dimethyl isosorbide 228.82
    tetrachloroethylene 224.55
    eugenol 128.01
    triacetin 150.52
    span 80 98.12
    1,4-butanediol 55.25
    1,1-dichloroethane 230.55
    2-methyl-1-pentanol 66.34
    methyl formate 325.15
    2-methyl-1-butanol 70.84
    n-decane 5.69
    butyronitrile 112.35
    3,7-dimethyl-1-octanol 45.49
    1-chlorooctane 31.96
    1-chlorotetradecane 16.83
    n-nonane 4.78
    undecane 4.84
    tert-butylcyclohexane 10.56
    cyclooctane 2.72
    cyclopentanol 148.93
    tetrahydropyran 221.06
    tert-amyl methyl ether 89.63
    2,5,8-trioxanonane 204.06
    1-hexene 28.19
    2-isopropoxyethanol 100.73
    2,2,2-trifluoroethanol 139.99
    methyl butyrate 158.79

    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