3,4-Diacetoxy-1-butene

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  • Identifiers

    CAS number
    18085-02-4

    Molecular formula
    C8H12O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 59.62%
    Odorless 31.7%
    Tropical 28.36%
    Caramellic 27.29%
    Grape 26.49%
    Ethereal 26.14%
    Winey 25.68%
    Sweet 24.46%
    Green 24.26%
    Fresh 23.49%

     

    Flavor
    Fruity 79.95%
    Tropical 36.44%
    Creamy 35.51%
    Buttery 32.11%
    Mild 28.54%
    Sweet 28.39%
    Bitter 25.91%
    Grape 25.29%
    Butter 25.15%
    Sharp 24.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.16 (neutral)

    Molecular weight
    172.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    206°C

    Flash point

    • 94.61 ˚C est.

  • Synonyms

    • 3,4-Diacetoxy-1-butene
    • Diacetoxybutene
    • 3-Butene-1,2-diol, 1,2-diacetate
    • 1,2-Diacetoxy-3-butene
    • 1-Butene-3,4-diol Diacetate
    • 1-Butene-3,4-diyl Diacetate
    • 1,2-diacetoxybut-3-ene
    • 0B625BEP46
    • 3-BUTENYL 1,2-DIACETATE
    • EC 421-720-5
    • RefChem:485820
    • 421-720-5
    • 605-909-1
    • 18085-02-4
    • But-3-ene-1,2-diyl diacetate
    • DAcB
    • 2-acetyloxybut-3-enyl acetate
    • MFCD00143056
    • 2-(Acetoxymethyl)-3-acetoxy-1-propene
    • 3-Butene-1,2-diol diacetate
    • 3-Butene-1,2-diol 1,2-Diacetate;
    • But-1-ene-3,4-diyl diacetate
    • UNII-0B625BEP46
    • But-3-ene-1,2-diyldiacetate
    • 3,4-diacetoxybutene
    • 1-(ACETYLOXY)BUT-3-EN-2-YL ACETATE
    • 1,2 -diacetoxy-3-butene
    • 2-acetoxybut-3-enyl acetate
    • SCHEMBL93559
    • 3-Buten-1,2-diol-diacetate
    • DTXSID20939388
    • 3,4-Diacetoxy-1-butene, 98%
    • AKOS015915710
    • AS-75913
    • SY279601
    • NS00001801
    • D95170
    • Q27236570
    • 2-(Acetoxymethyl)-3-acetoxy-1-propene 100 microg/mL in Acetonitrile
    • 18085-02-4

  • Applications

    3,4-Diacetoxy-1-butene (CAS 18085-02-4) is primarily used as a chemical intermediate in organic synthesis. It serves as a protected diol building block that can be deprotected to yield a functional diol, enabling the preparation of specialty polymers and crosslinked resin systems. In industrial manufacturing, it is commonly evaluated as a monomer or co-monomer for polyester and polyacrylate-type resins after hydrolysis or deprotection. It may act as a reactive precursor or crosslinking agent in formulations of coatings, inks, and adhesives that are cured by UV or heat. In pharmaceutical and agrochemical research, it is employed as a protected diol building block for the synthesis of more complex intermediates, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 81.38
    methanol 155.63
    isopropanol 57.27
    water 11.56
    ethyl acetate 51.54
    n-propanol 46.92
    acetone 136.28
    n-butanol 39.39
    acetonitrile 83.75
    DMF 458.7
    toluene 23.51
    isobutanol 34.35
    1,4-dioxane 104.83
    methyl acetate 83.73
    THF 135.34
    2-butanone 79.84
    n-pentanol 28.42
    sec-butanol 44.41
    n-hexane 6.06
    ethylene glycol 34.45
    NMP 446.74
    cyclohexane 4.43
    DMSO 500.42
    n-butyl acetate 28.9
    n-octanol 14.0
    chloroform 94.0
    n-propyl acetate 29.96
    acetic acid 144.86
    dichloromethane 131.55
    cyclohexanone 102.79
    propylene glycol 27.71
    isopropyl acetate 30.51
    DMAc 625.41
    2-ethoxyethanol 93.65
    isopentanol 36.63
    n-heptane 1.99
    ethyl formate 85.34
    1,2-dichloroethane 84.02
    n-hexanol 17.93
    2-methoxyethanol 175.08
    isobutyl acetate 18.45
    tetrachloromethane 12.64
    n-pentyl acetate 14.65
    transcutol 175.43
    n-heptanol 8.14
    ethylbenzene 21.52
    MIBK 31.12
    2-propoxyethanol 55.01
    tert-butanol 73.11
    MTBE 55.92
    2-butoxyethanol 25.13
    propionic acid 68.06
    o-xylene 28.98
    formic acid 129.74
    diethyl ether 39.51
    m-xylene 18.55
    p-xylene 30.68
    chlorobenzene 39.19
    dimethyl carbonate 41.14
    n-octane 1.11
    formamide 161.23
    cyclopentanone 130.44
    2-pentanone 47.4
    anisole 62.57
    cyclopentyl methyl ether 48.2
    gamma-butyrolactone 189.62
    1-methoxy-2-propanol 89.71
    pyridine 89.4
    3-pentanone 43.23
    furfural 234.0
    n-dodecane 1.34
    diethylene glycol 65.71
    diisopropyl ether 9.49
    tert-amyl alcohol 63.99
    acetylacetone 79.27
    n-hexadecane 1.51
    acetophenone 69.35
    methyl propionate 55.75
    isopentyl acetate 29.96
    trichloroethylene 135.25
    n-nonanol 13.18
    cyclohexanol 37.0
    benzyl alcohol 49.49
    2-ethylhexanol 13.79
    isooctanol 7.7
    dipropyl ether 14.92
    1,2-dichlorobenzene 45.95
    ethyl lactate 27.91
    propylene carbonate 96.56
    n-methylformamide 166.93
    2-pentanol 20.88
    n-pentane 3.71
    1-propoxy-2-propanol 34.09
    1-methoxy-2-propyl acetate 41.19
    2-(2-methoxypropoxy) propanol 64.82
    mesitylene 11.84
    ε-caprolactone 98.0
    p-cymene 11.76
    epichlorohydrin 158.82
    1,1,1-trichloroethane 49.09
    2-aminoethanol 48.69
    morpholine-4-carbaldehyde 288.93
    sulfolane 269.64
    2,2,4-trimethylpentane 3.38
    2-methyltetrahydrofuran 91.15
    n-hexyl acetate 28.98
    isooctane 1.4
    2-(2-butoxyethoxy)ethanol 61.12
    sec-butyl acetate 22.73
    tert-butyl acetate 37.88
    decalin 5.42
    glycerin 63.69
    diglyme 123.02
    acrylic acid 74.13
    isopropyl myristate 14.16
    n-butyric acid 61.09
    acetyl acetate 44.51
    di(2-ethylhexyl) phthalate 22.87
    ethyl propionate 35.88
    nitromethane 281.86
    1,2-diethoxyethane 38.64
    benzonitrile 56.75
    trioctyl phosphate 12.14
    1-bromopropane 38.57
    gamma-valerolactone 209.71
    n-decanol 10.03
    triethyl phosphate 27.81
    4-methyl-2-pentanol 13.75
    propionitrile 46.64
    vinylene carbonate 95.98
    1,1,2-trichlorotrifluoroethane 136.3
    DMS 41.58
    cumene 16.77
    2-octanol 6.79
    2-hexanone 37.6
    octyl acetate 16.91
    limonene 15.56
    1,2-dimethoxyethane 195.38
    ethyl orthosilicate 24.62
    tributyl phosphate 20.11
    diacetone alcohol 56.38
    N,N-dimethylaniline 58.9
    acrylonitrile 71.27
    aniline 44.15
    1,3-propanediol 64.79
    bromobenzene 33.93
    dibromomethane 68.89
    1,1,2,2-tetrachloroethane 109.6
    2-methyl-cyclohexyl acetate 32.09
    tetrabutyl urea 32.31
    diisobutyl methanol 9.93
    2-phenylethanol 28.26
    styrene 24.85
    dioctyl adipate 29.17
    dimethyl sulfate 118.56
    ethyl butyrate 28.24
    methyl lactate 47.23
    butyl lactate 20.2
    diethyl carbonate 27.31
    propanediol butyl ether 35.16
    triethyl orthoformate 24.8
    p-tert-butyltoluene 10.9
    methyl 4-tert-butylbenzoate 47.2
    morpholine 123.47
    tert-butylamine 39.02
    n-dodecanol 7.83
    dimethoxymethane 120.37
    ethylene carbonate 69.47
    cyrene 73.1
    2-ethoxyethyl acetate 28.39
    2-ethylhexyl acetate 23.81
    1,2,4-trichlorobenzene 60.37
    4-methylpyridine 116.45
    dibutyl ether 18.46
    2,6-dimethyl-4-heptanol 9.93
    DEF 110.12
    dimethyl isosorbide 103.34
    tetrachloroethylene 66.72
    eugenol 45.64
    triacetin 48.86
    span 80 35.22
    1,4-butanediol 27.59
    1,1-dichloroethane 57.9
    2-methyl-1-pentanol 31.21
    methyl formate 136.25
    2-methyl-1-butanol 36.19
    n-decane 2.15
    butyronitrile 45.54
    3,7-dimethyl-1-octanol 17.1
    1-chlorooctane 8.9
    1-chlorotetradecane 4.41
    n-nonane 1.97
    undecane 1.64
    tert-butylcyclohexane 4.89
    cyclooctane 1.66
    cyclopentanol 44.15
    tetrahydropyran 59.92
    tert-amyl methyl ether 50.08
    2,5,8-trioxanonane 105.42
    1-hexene 17.38
    2-isopropoxyethanol 48.26
    2,2,2-trifluoroethanol 66.78
    methyl butyrate 53.51

    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