Butane-2,3-diyl diacetate

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  • Identifiers

    CAS number
    1114-92-7

    Molecular formula
    C8H14O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 53.36%
    Odorless 37.87%
    Ethereal 25.54%
    Fresh 25.3%
    Buttery 23.96%
    Creamy 23.11%
    Grape 21.88%
    Tropical 21.18%
    Milky 19.19%
    Sour 18.97%

     

    Flavor
    Fruity 78.21%
    Sweet 48.78%
    Tropical 43.99%
    Bitter 32.26%
    Creamy 31.22%
    Fruit 30.85%
    Buttery 28.96%
    Green 27.69%
    Citrus 27.09%
    Sharp 26.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.12 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    188°C

    Flash point

    • 87.37 ˚C est.

  • Synonyms

    • Butane-2,3-diyl diacetate
    • 1114-92-7
    • 3-acetyloxybutan-2-yl acetate
    • 2,3-diacetoxybutane
    • 2,3-butanediol diacetate
    • EINECS 214-219-6
    • 2-(Acetyloxy)-1-methylpropyl acetate
    • AI3-10549
    • DTXSID70912146
    • 2,3-Butanediol, diacetate (mostly meso)
    • Butane-2,3-diyldiacetate
    • 2,3-Butanedioldiacetate
    • 2,3-Butanediyl diacetate
    • 2,3-butane diol diacetate
    • butane-2,3-diol diacetate
    • 2,3-Butanediol, diacetate
    • Butane-2,3-diol, diacetate
    • SCHEMBL9720211
    • CHEBI:230539
    • DTXCID101341173
    • 2-(Acetyloxy)-1-methylpropyl acetate #
    • DB-252333
    • NS00044422
    • G14701
    • 214-219-6

  • Applications

    Butane-2,3-diyl diacetate is used as a processing aid and plasticizer in polymers and coatings, improving flexibility and helping film formation. It can function as a solvent or co-solvent in industrial manufacturing, including paints, inks, and adhesive systems. It also serves as an intermediate in organic synthesis, enabling acetylation steps and providing a building block for fragrance-related chemical routes. In perfumery and cosmetics, it can act as a solvent or carrier for aroma ingredients. It may be evaluated for cleaning formulations as a mild solvent. CAS number: 1114-92-7.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 94.43
    methanol 178.32
    isopropanol 72.81
    water 9.86
    ethyl acetate 124.28
    n-propanol 70.3
    acetone 236.08
    n-butanol 54.98
    acetonitrile 175.34
    DMF 634.53
    toluene 55.06
    isobutanol 52.51
    1,4-dioxane 166.05
    methyl acetate 194.47
    THF 245.39
    2-butanone 185.29
    n-pentanol 39.64
    sec-butanol 73.18
    n-hexane 15.99
    ethylene glycol 48.01
    NMP 756.11
    cyclohexane 12.45
    DMSO 654.32
    n-butyl acetate 67.03
    n-octanol 22.61
    chloroform 322.55
    n-propyl acetate 63.51
    acetic acid 230.84
    dichloromethane 367.85
    cyclohexanone 204.19
    propylene glycol 49.85
    isopropyl acetate 74.24
    DMAc 860.0
    2-ethoxyethanol 118.59
    isopentanol 47.11
    n-heptane 4.35
    ethyl formate 132.29
    1,2-dichloroethane 230.84
    n-hexanol 30.33
    2-methoxyethanol 235.38
    isobutyl acetate 37.42
    tetrachloromethane 53.8
    n-pentyl acetate 35.67
    transcutol 189.54
    n-heptanol 13.46
    ethylbenzene 38.46
    MIBK 59.31
    2-propoxyethanol 89.22
    tert-butanol 105.96
    MTBE 110.58
    2-butoxyethanol 38.3
    propionic acid 137.61
    o-xylene 58.42
    formic acid 193.61
    diethyl ether 83.49
    m-xylene 40.03
    p-xylene 58.07
    chlorobenzene 98.93
    dimethyl carbonate 82.35
    n-octane 2.18
    formamide 237.02
    cyclopentanone 271.06
    2-pentanone 103.56
    anisole 101.78
    cyclopentyl methyl ether 102.73
    gamma-butyrolactone 380.44
    1-methoxy-2-propanol 140.01
    pyridine 175.51
    3-pentanone 111.87
    furfural 426.48
    n-dodecane 2.13
    diethylene glycol 87.64
    diisopropyl ether 24.42
    tert-amyl alcohol 103.7
    acetylacetone 175.73
    n-hexadecane 2.44
    acetophenone 122.21
    methyl propionate 130.21
    isopentyl acetate 66.58
    trichloroethylene 390.03
    n-nonanol 19.82
    cyclohexanol 60.58
    benzyl alcohol 71.6
    2-ethylhexanol 22.89
    isooctanol 12.25
    dipropyl ether 28.42
    1,2-dichlorobenzene 119.5
    ethyl lactate 49.63
    propylene carbonate 199.74
    n-methylformamide 268.2
    2-pentanol 36.57
    n-pentane 9.51
    1-propoxy-2-propanol 57.5
    1-methoxy-2-propyl acetate 88.67
    2-(2-methoxypropoxy) propanol 84.49
    mesitylene 25.76
    ε-caprolactone 205.6
    p-cymene 20.55
    epichlorohydrin 333.68
    1,1,1-trichloroethane 159.8
    2-aminoethanol 72.84
    morpholine-4-carbaldehyde 416.09
    sulfolane 595.84
    2,2,4-trimethylpentane 8.55
    2-methyltetrahydrofuran 190.37
    n-hexyl acetate 63.22
    isooctane 3.34
    2-(2-butoxyethoxy)ethanol 69.43
    sec-butyl acetate 49.0
    tert-butyl acetate 81.23
    decalin 12.07
    glycerin 105.44
    diglyme 161.55
    acrylic acid 150.88
    isopropyl myristate 23.52
    n-butyric acid 116.82
    acetyl acetate 113.42
    di(2-ethylhexyl) phthalate 35.31
    ethyl propionate 78.97
    nitromethane 543.39
    1,2-diethoxyethane 56.71
    benzonitrile 96.53
    trioctyl phosphate 19.74
    1-bromopropane 103.1
    gamma-valerolactone 395.25
    n-decanol 13.84
    triethyl phosphate 52.64
    4-methyl-2-pentanol 22.19
    propionitrile 99.36
    vinylene carbonate 192.5
    1,1,2-trichlorotrifluoroethane 289.56
    DMS 94.62
    cumene 29.71
    2-octanol 12.17
    2-hexanone 69.95
    octyl acetate 30.5
    limonene 27.82
    1,2-dimethoxyethane 248.72
    ethyl orthosilicate 45.37
    tributyl phosphate 32.94
    diacetone alcohol 100.0
    N,N-dimethylaniline 84.94
    acrylonitrile 151.17
    aniline 81.64
    1,3-propanediol 85.77
    bromobenzene 95.48
    dibromomethane 208.89
    1,1,2,2-tetrachloroethane 333.35
    2-methyl-cyclohexyl acetate 55.91
    tetrabutyl urea 46.57
    diisobutyl methanol 16.18
    2-phenylethanol 46.08
    styrene 42.96
    dioctyl adipate 45.48
    dimethyl sulfate 245.24
    ethyl butyrate 55.48
    methyl lactate 87.88
    butyl lactate 39.06
    diethyl carbonate 49.54
    propanediol butyl ether 45.81
    triethyl orthoformate 45.75
    p-tert-butyltoluene 20.92
    methyl 4-tert-butylbenzoate 78.03
    morpholine 194.18
    tert-butylamine 60.58
    n-dodecanol 10.44
    dimethoxymethane 193.15
    ethylene carbonate 133.86
    cyrene 109.42
    2-ethoxyethyl acetate 62.09
    2-ethylhexyl acetate 57.12
    1,2,4-trichlorobenzene 155.72
    4-methylpyridine 215.15
    dibutyl ether 28.51
    2,6-dimethyl-4-heptanol 16.18
    DEF 209.29
    dimethyl isosorbide 153.91
    tetrachloroethylene 212.6
    eugenol 69.41
    triacetin 88.08
    span 80 49.56
    1,4-butanediol 35.44
    1,1-dichloroethane 168.06
    2-methyl-1-pentanol 41.99
    methyl formate 213.75
    2-methyl-1-butanol 54.65
    n-decane 3.8
    butyronitrile 80.83
    3,7-dimethyl-1-octanol 27.01
    1-chlorooctane 17.42
    1-chlorotetradecane 7.27
    n-nonane 3.63
    undecane 2.72
    tert-butylcyclohexane 10.78
    cyclooctane 4.48
    cyclopentanol 78.84
    tetrahydropyran 109.14
    tert-amyl methyl ether 99.52
    2,5,8-trioxanonane 119.26
    1-hexene 35.69
    2-isopropoxyethanol 65.1
    2,2,2-trifluoroethanol 140.71
    methyl butyrate 105.33

    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