Methyl butanoate, 3-acetoxy

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    89422-42-4

    Molecular formula
    C7H12O4

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

    Retention indicies (RI)

    • Carbowax: 1563.0

  • Odor profile

    Fragrance
    Fruity 93.26%
    Green 67.23%
    Apple 60.82%
    Ethereal 52.72%
    Sweet 51.09%
    Winey 49.45%
    Fresh 48.94%
    Tropical 40.0%
    Pineapple 38.05%
    Rummy 38.01%

     

    Flavor
    Fruity 91.55%
    Tropical 44.47%
    Sweet 43.88%
    Green 40.19%
    Bitter 39.42%
    Apple 33.34%
    Pineapple 32.49%
    Fresh 31.21%
    Fruit 30.28%
    Grape 28.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.21 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    190°C

    Flash point

    • 73.21 ˚C est.

  • Synonyms

    • 89422-42-4
    • Methyl-3-acetoxybutanoate
    • Methyl butanoate, 3-acetoxy
    • methyl 3-acetoxybutanoate
    • METHYL 3-ACETOXYBUTYRATE
    • SCHEMBL7691229
    • GSQSJDKJUCRGGT-UHFFFAOYSA-N
    • (2E)-N-(3-Methyl-1H-pyrazol-5-yl)-3-phenyl-2-propenamide

  • Applications

    Methyl butanoate, 3-acetoxy (CAS 89422-42-4) is primarily used as a fragrance ingredient and flavor intermediate, contributing fruity notes in perfumery, cosmetics, and flavor formulations. In cosmetics and personal care, it serves as a scent component in products such as lotions, soaps, and shampoos. In household products, it can function as an aroma additive in cleaners and air fresheners. Industrially, it is used as an intermediate for synthesizing other esters and fragrance compounds, and may act as a processing aid or precursor in coatings, inks, and adhesives, depending on formulation limits and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 538.25
    methanol 856.7
    isopropanol 387.97
    water 155.5
    ethyl acetate 460.76
    n-propanol 367.08
    acetone 1222.89
    n-butanol 255.1
    acetonitrile 710.33
    DMF 2967.97
    toluene 138.73
    isobutanol 249.0
    1,4-dioxane 601.06
    methyl acetate 665.46
    THF 1008.4
    2-butanone 623.06
    n-pentanol 141.55
    sec-butanol 305.44
    n-hexane 17.13
    ethylene glycol 318.06
    NMP 3232.96
    cyclohexane 15.55
    DMSO 1692.28
    n-butyl acetate 101.62
    n-octanol 49.64
    chloroform 563.92
    n-propyl acetate 156.52
    acetic acid 1883.13
    dichloromethane 627.83
    cyclohexanone 663.0
    propylene glycol 355.95
    isopropyl acetate 222.45
    DMAc 2710.44
    2-ethoxyethanol 445.08
    isopentanol 185.16
    n-heptane 5.16
    ethyl formate 436.88
    1,2-dichloroethane 407.94
    n-hexanol 74.42
    2-methoxyethanol 1129.0
    isobutyl acetate 84.08
    tetrachloromethane 67.43
    n-pentyl acetate 63.98
    transcutol 618.66
    n-heptanol 29.94
    ethylbenzene 64.92
    MIBK 188.12
    2-propoxyethanol 265.31
    tert-butanol 463.1
    MTBE 293.98
    2-butoxyethanol 94.47
    propionic acid 783.86
    o-xylene 125.32
    formic acid 1415.03
    diethyl ether 249.19
    m-xylene 107.55
    p-xylene 93.54
    chlorobenzene 191.03
    dimethyl carbonate 340.12
    n-octane 2.25
    formamide 1602.51
    cyclopentanone 1043.29
    2-pentanone 391.32
    anisole 233.89
    cyclopentyl methyl ether 416.46
    gamma-butyrolactone 1541.34
    1-methoxy-2-propanol 636.12
    pyridine 509.25
    3-pentanone 320.7
    furfural 1363.35
    n-dodecane 2.67
    diethylene glycol 308.75
    diisopropyl ether 52.29
    tert-amyl alcohol 369.78
    acetylacetone 626.27
    n-hexadecane 3.05
    acetophenone 276.85
    methyl propionate 531.37
    isopentyl acetate 95.41
    trichloroethylene 853.55
    n-nonanol 42.39
    cyclohexanol 269.73
    benzyl alcohol 223.57
    2-ethylhexanol 44.26
    isooctanol 26.47
    dipropyl ether 53.74
    1,2-dichlorobenzene 193.55
    ethyl lactate 138.69
    propylene carbonate 642.0
    n-methylformamide 1413.43
    2-pentanol 147.58
    n-pentane 15.57
    1-propoxy-2-propanol 143.5
    1-methoxy-2-propyl acetate 195.93
    2-(2-methoxypropoxy) propanol 199.85
    mesitylene 55.38
    ε-caprolactone 675.16
    p-cymene 29.51
    epichlorohydrin 1125.82
    1,1,1-trichloroethane 318.78
    2-aminoethanol 435.76
    morpholine-4-carbaldehyde 1740.45
    sulfolane 1673.66
    2,2,4-trimethylpentane 13.78
    2-methyltetrahydrofuran 722.5
    n-hexyl acetate 131.88
    isooctane 6.04
    2-(2-butoxyethoxy)ethanol 189.9
    sec-butyl acetate 111.91
    tert-butyl acetate 226.32
    decalin 14.9
    glycerin 624.27
    diglyme 359.61
    acrylic acid 895.24
    isopropyl myristate 41.11
    n-butyric acid 577.92
    acetyl acetate 350.96
    di(2-ethylhexyl) phthalate 62.53
    ethyl propionate 207.2
    nitromethane 3473.47
    1,2-diethoxyethane 107.87
    benzonitrile 241.4
    trioctyl phosphate 34.27
    1-bromopropane 169.98
    gamma-valerolactone 1599.48
    n-decanol 29.21
    triethyl phosphate 71.44
    4-methyl-2-pentanol 73.49
    propionitrile 310.42
    vinylene carbonate 602.78
    1,1,2-trichlorotrifluoroethane 983.2
    DMS 216.59
    cumene 50.68
    2-octanol 24.12
    2-hexanone 166.51
    octyl acetate 56.64
    limonene 44.82
    1,2-dimethoxyethane 606.67
    ethyl orthosilicate 62.75
    tributyl phosphate 55.68
    diacetone alcohol 327.8
    N,N-dimethylaniline 187.31
    acrylonitrile 518.65
    aniline 310.78
    1,3-propanediol 486.94
    bromobenzene 147.42
    dibromomethane 319.16
    1,1,2,2-tetrachloroethane 594.68
    2-methyl-cyclohexyl acetate 92.45
    tetrabutyl urea 82.21
    diisobutyl methanol 25.82
    2-phenylethanol 109.74
    styrene 83.1
    dioctyl adipate 87.12
    dimethyl sulfate 814.21
    ethyl butyrate 98.99
    methyl lactate 374.3
    butyl lactate 81.46
    diethyl carbonate 78.76
    propanediol butyl ether 144.85
    triethyl orthoformate 73.2
    p-tert-butyltoluene 29.08
    methyl 4-tert-butylbenzoate 171.89
    morpholine 905.71
    tert-butylamine 213.63
    n-dodecanol 21.5
    dimethoxymethane 748.13
    ethylene carbonate 416.21
    cyrene 306.71
    2-ethoxyethyl acetate 131.42
    2-ethylhexyl acetate 75.93
    1,2,4-trichlorobenzene 273.02
    4-methylpyridine 645.57
    dibutyl ether 46.78
    2,6-dimethyl-4-heptanol 25.82
    DEF 658.62
    dimethyl isosorbide 311.13
    tetrachloroethylene 359.16
    eugenol 140.12
    triacetin 230.01
    span 80 126.36
    1,4-butanediol 149.8
    1,1-dichloroethane 375.27
    2-methyl-1-pentanol 127.26
    methyl formate 1053.18
    2-methyl-1-butanol 212.77
    n-decane 4.46
    butyronitrile 250.01
    3,7-dimethyl-1-octanol 53.57
    1-chlorooctane 24.94
    1-chlorotetradecane 10.11
    n-nonane 4.2
    undecane 3.35
    tert-butylcyclohexane 13.54
    cyclooctane 5.86
    cyclopentanol 391.89
    tetrahydropyran 429.1
    tert-amyl methyl ether 253.65
    2,5,8-trioxanonane 263.73
    1-hexene 62.99
    2-isopropoxyethanol 217.27
    2,2,2-trifluoroethanol 829.53
    methyl butyrate 265.2

    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

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.19%