Methyl 2-(acetyloxy)butanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    104555-62-6

    Molecular formula
    C7H12O4

    SMILES
    CCC(C(=O)OC)OC(=O)C

  • Odor profile

    Fragrance
    Fruity 93.95%
    Caramellic 50.42%
    Buttery 44.44%
    Tropical 40.56%
    Winey 38.11%
    Sweet 35.63%
    Ethereal 35.36%
    Creamy 34.75%
    Apple 32.9%
    Pineapple 32.51%

     

    Flavor
    Fruity 89.55%
    Creamy 45.57%
    Tropical 38.22%
    Sweet 37.52%
    Buttery 36.89%
    Grape 33.87%
    Berry 32.91%
    Butter 31.56%
    Green 31.07%
    Mild 30.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.65 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    184°C

    Flash point

    • 70.46 ˚C est.

  • Synonyms

    • 104555-62-6
    • Methyl 2-(acetyloxy)butanoate
    • SCHEMBL7395531
    • DTXSID10541616

  • Applications

    Used as a fragrance ingredient and odorant in perfumery, methyl 2-(acetyloxy)butanoate contributes fruity, ester-like notes; it is often evaluated as a flavor precursor for specialty aroma applications; it serves as an intermediate in organic synthesis for the preparation of acetylated esters and related derivatives; it may be employed in cosmetics and personal care formulations as a fragrance component; it can appear in household products as an aroma ingredient to impart a fresh scent; in industrial manufacturing it is used as a chemical building block for further esterification and polymer-related syntheses. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 614.28
    methanol 1192.24
    isopropanol 468.79
    water 28.15
    ethyl acetate 332.33
    n-propanol 440.01
    acetone 678.54
    n-butanol 338.7
    acetonitrile 752.82
    DMF 1140.47
    toluene 195.67
    isobutanol 314.82
    1,4-dioxane 842.24
    methyl acetate 454.43
    THF 623.12
    2-butanone 398.37
    n-pentanol 306.52
    sec-butanol 398.31
    n-hexane 33.99
    ethylene glycol 287.15
    NMP 839.28
    cyclohexane 70.62
    DMSO 1207.48
    n-butyl acetate 189.4
    n-octanol 151.23
    chloroform 974.13
    n-propyl acetate 207.56
    acetic acid 708.84
    dichloromethane 1447.05
    cyclohexanone 515.71
    propylene glycol 198.89
    isopropyl acetate 166.23
    DMAc 969.0
    2-ethoxyethanol 580.98
    isopentanol 250.09
    n-heptane 23.49
    ethyl formate 476.76
    1,2-dichloroethane 808.98
    n-hexanol 196.83
    2-methoxyethanol 870.55
    isobutyl acetate 117.36
    tetrachloromethane 138.65
    n-pentyl acetate 148.65
    transcutol 469.28
    n-heptanol 118.14
    ethylbenzene 155.26
    MIBK 156.14
    2-propoxyethanol 379.09
    tert-butanol 543.2
    MTBE 307.19
    2-butoxyethanol 212.71
    propionic acid 374.65
    o-xylene 196.22
    formic acid 493.69
    diethyl ether 295.76
    m-xylene 141.86
    p-xylene 219.76
    chlorobenzene 318.59
    dimethyl carbonate 165.57
    n-octane 18.47
    formamide 604.98
    cyclopentanone 549.96
    2-pentanone 273.31
    anisole 301.76
    cyclopentyl methyl ether 245.37
    gamma-butyrolactone 748.56
    1-methoxy-2-propanol 452.5
    pyridine 588.23
    3-pentanone 245.76
    furfural 841.87
    n-dodecane 18.97
    diethylene glycol 358.69
    diisopropyl ether 71.21
    tert-amyl alcohol 433.33
    acetylacetone 344.75
    n-hexadecane 21.34
    acetophenone 307.78
    methyl propionate 305.5
    isopentyl acetate 163.68
    trichloroethylene 1142.46
    n-nonanol 130.6
    cyclohexanol 346.26
    benzyl alcohol 330.5
    2-ethylhexanol 126.56
    isooctanol 97.22
    dipropyl ether 109.59
    1,2-dichlorobenzene 335.05
    ethyl lactate 153.18
    propylene carbonate 399.66
    n-methylformamide 726.17
    2-pentanol 203.98
    n-pentane 38.07
    1-propoxy-2-propanol 200.14
    1-methoxy-2-propyl acetate 170.61
    2-(2-methoxypropoxy) propanol 191.81
    mesitylene 98.01
    ε-caprolactone 444.24
    p-cymene 89.98
    epichlorohydrin 796.39
    1,1,1-trichloroethane 499.23
    2-aminoethanol 373.09
    morpholine-4-carbaldehyde 797.12
    sulfolane 838.77
    2,2,4-trimethylpentane 28.13
    2-methyltetrahydrofuran 424.29
    n-hexyl acetate 215.54
    isooctane 14.13
    2-(2-butoxyethoxy)ethanol 227.57
    sec-butyl acetate 126.65
    tert-butyl acetate 173.34
    decalin 43.58
    glycerin 298.24
    diglyme 498.64
    acrylic acid 389.82
    isopropyl myristate 89.82
    n-butyric acid 381.61
    acetyl acetate 224.79
    di(2-ethylhexyl) phthalate 100.25
    ethyl propionate 207.48
    nitromethane 1034.27
    1,2-diethoxyethane 222.81
    benzonitrile 406.04
    trioctyl phosphate 79.23
    1-bromopropane 352.9
    gamma-valerolactone 741.58
    n-decanol 98.67
    triethyl phosphate 111.24
    4-methyl-2-pentanol 107.85
    propionitrile 480.44
    vinylene carbonate 456.47
    1,1,2-trichlorotrifluoroethane 573.76
    DMS 196.83
    cumene 114.74
    2-octanol 102.5
    2-hexanone 217.93
    octyl acetate 127.94
    limonene 117.02
    1,2-dimethoxyethane 866.19
    ethyl orthosilicate 98.72
    tributyl phosphate 92.15
    diacetone alcohol 229.73
    N,N-dimethylaniline 247.64
    acrylonitrile 625.08
    aniline 291.48
    1,3-propanediol 427.83
    bromobenzene 318.84
    dibromomethane 798.64
    1,1,2,2-tetrachloroethane 831.36
    2-methyl-cyclohexyl acetate 146.19
    tetrabutyl urea 127.88
    diisobutyl methanol 73.51
    2-phenylethanol 204.33
    styrene 189.71
    dioctyl adipate 137.45
    dimethyl sulfate 302.43
    ethyl butyrate 171.49
    methyl lactate 203.5
    butyl lactate 121.08
    diethyl carbonate 141.07
    propanediol butyl ether 183.12
    triethyl orthoformate 123.52
    p-tert-butyltoluene 83.19
    methyl 4-tert-butylbenzoate 210.54
    morpholine 733.01
    tert-butylamine 312.68
    n-dodecanol 79.1
    dimethoxymethane 563.62
    ethylene carbonate 373.22
    cyrene 241.34
    2-ethoxyethyl acetate 184.63
    2-ethylhexyl acetate 129.19
    1,2,4-trichlorobenzene 367.86
    4-methylpyridine 589.1
    dibutyl ether 131.29
    2,6-dimethyl-4-heptanol 73.51
    DEF 454.14
    dimethyl isosorbide 287.97
    tetrachloroethylene 570.29
    eugenol 216.21
    triacetin 211.09
    span 80 154.27
    1,4-butanediol 255.26
    1,1-dichloroethane 624.66
    2-methyl-1-pentanol 244.17
    methyl formate 634.87
    2-methyl-1-butanol 270.13
    n-decane 28.62
    butyronitrile 439.06
    3,7-dimethyl-1-octanol 129.34
    1-chlorooctane 105.25
    1-chlorotetradecane 48.93
    n-nonane 27.68
    undecane 22.66
    tert-butylcyclohexane 35.39
    cyclooctane 22.22
    cyclopentanol 383.17
    tetrahydropyran 469.99
    tert-amyl methyl ether 246.57
    2,5,8-trioxanonane 331.78
    1-hexene 120.05
    2-isopropoxyethanol 324.08
    2,2,2-trifluoroethanol 269.61
    methyl butyrate 313.04

    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