1,4-Diacetoxybutane

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  • Identifiers

    CAS number
    628-67-1

    Molecular formula
    C8H14O4

    SMILES
    CC(=O)OCCCCOC(=O)C

  • Odor profile

    Fragrance
    Fruity 89.46%
    Ethereal 62.09%
    Sweet 60.24%
    Winey 42.35%
    Fresh 37.63%
    Apple 37.3%
    Rummy 35.61%
    Floral 34.57%
    Solvent 33.34%
    Alcoholic 29.35%

     

    Flavor
    Fruity 92.93%
    Bitter 58.74%
    Sweet 56.68%
    Green 52.42%
    Banana 48.35%
    Apple 44.96%
    Fruit 44.79%
    Pineapple 43.5%
    Ethereal 40.35%
    Pear 40.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.51 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    223°C

    Flash point

    • 101.01 ˚C est.

  • Synonyms

    • 1,4-Diacetoxybutane
    • 628-67-1
    • 1,4-Butanediol diacetate
    • Tetramethylene diacetate
    • 4-acetyloxybutyl acetate
    • Butylene glycol diacetate
    • Tetramethylene acetate
    • 1,4-Butanediol, diacetate
    • 1,4-Butylene glycol diacetate
    • 1,4-Butanediol, 1,4-diacetate
    • 4-(Acetyloxy)butyl acetate
    • DX4C8Q6BNS
    • butane-1,4-diyl diacetate
    • NSC 67924
    • NSC-67924
    • AI3-06322
    • CHEBI:87345
    • DTXSID70879240
    • 26248-69-1
    • 33934-62-2
    • Butane-1,4-diol diacetate
    • MFCD00014984
    • 1,4-diacetoxy-butane
    • 1,4-Butylene Diacetate
    • UNII-DX4C8Q6BNS
    • NCIOpen2_000845
    • SCHEMBL189930
    • Tetramethylene glycol diacetate
    • 4-(Acetyloxy)butyl acetate #
    • XUKSWKGOQKREON-UHFFFAOYSA-
    • DTXCID001017254
    • AAA62867
    • NSC67924
    • AKOS005207226
    • AS-57183
    • DB-080896
    • B1232
    • CS-0128936
    • E85283
    • Q27159548
    • Poly(oxy-1,4-butanediyl), .alpha.-acetyl-.omega.-(acetyloxy)-
    • InChI=1/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
    • 807-698-3

  • Applications

    1,4-Diacetoxybutane, CAS 628-67-1, is primarily used as an organic-synthesis intermediate and as a protecting group for the hydroxyl functionality of 1,4-butanediol, enabling selective transformations in multi-step sequences. In polymer and plastic chemistry, it serves as a precursor for polyurethane and polyester production, or as a protected diol that can be deprotected by hydrolysis to release the diol when needed. In coatings, paints, and adhesives formulations, it can participate as a linking component or as a reactive diol in crosslinking strategies within polymer networks. It is also regarded as an important building block in the synthesis of more complex organic compounds and related pharmaceutical synthesis steps, subject to appropriate handling and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.21
    methanol 111.19
    isopropanol 47.78
    water 1.95
    ethyl acetate 66.67
    n-propanol 31.2
    acetone 211.47
    n-butanol 25.87
    acetonitrile 154.58
    DMF 455.73
    toluene 31.5
    isobutanol 25.49
    1,4-dioxane 128.24
    methyl acetate 108.81
    THF 193.33
    2-butanone 104.8
    n-pentanol 21.36
    sec-butanol 36.75
    n-hexane 7.04
    ethylene glycol 17.24
    NMP 476.26
    cyclohexane 7.24
    DMSO 692.19
    n-butyl acetate 36.44
    n-octanol 16.13
    chloroform 303.27
    n-propyl acetate 41.75
    acetic acid 195.4
    dichloromethane 348.85
    cyclohexanone 151.03
    propylene glycol 21.83
    isopropyl acetate 38.48
    DMAc 549.66
    2-ethoxyethanol 72.56
    isopentanol 24.53
    n-heptane 2.75
    ethyl formate 78.58
    1,2-dichloroethane 164.06
    n-hexanol 14.72
    2-methoxyethanol 137.65
    isobutyl acetate 23.75
    tetrachloromethane 26.35
    n-pentyl acetate 24.49
    transcutol 182.37
    n-heptanol 7.85
    ethylbenzene 26.79
    MIBK 33.85
    2-propoxyethanol 47.24
    tert-butanol 74.73
    MTBE 56.43
    2-butoxyethanol 23.88
    propionic acid 88.28
    o-xylene 35.31
    formic acid 95.01
    diethyl ether 42.31
    m-xylene 22.19
    p-xylene 40.38
    chlorobenzene 66.69
    dimethyl carbonate 34.59
    n-octane 1.81
    formamide 155.7
    cyclopentanone 219.44
    2-pentanone 57.15
    anisole 67.76
    cyclopentyl methyl ether 59.12
    gamma-butyrolactone 299.06
    1-methoxy-2-propanol 86.4
    pyridine 142.82
    3-pentanone 58.55
    furfural 318.54
    n-dodecane 1.99
    diethylene glycol 48.95
    diisopropyl ether 10.59
    tert-amyl alcohol 58.91
    acetylacetone 120.57
    n-hexadecane 2.3
    acetophenone 83.83
    methyl propionate 65.44
    isopentyl acetate 34.06
    trichloroethylene 324.01
    n-nonanol 15.21
    cyclohexanol 35.98
    benzyl alcohol 54.66
    2-ethylhexanol 12.65
    isooctanol 7.83
    dipropyl ether 18.39
    1,2-dichlorobenzene 78.65
    ethyl lactate 31.01
    propylene carbonate 132.2
    n-methylformamide 166.61
    2-pentanol 16.71
    n-pentane 3.81
    1-propoxy-2-propanol 33.79
    1-methoxy-2-propyl acetate 46.68
    2-(2-methoxypropoxy) propanol 66.0
    mesitylene 13.62
    ε-caprolactone 130.65
    p-cymene 13.27
    epichlorohydrin 234.38
    1,1,1-trichloroethane 116.66
    2-aminoethanol 32.11
    morpholine-4-carbaldehyde 302.08
    sulfolane 473.56
    2,2,4-trimethylpentane 3.79
    2-methyltetrahydrofuran 113.97
    n-hexyl acetate 44.44
    isooctane 1.48
    2-(2-butoxyethoxy)ethanol 61.83
    sec-butyl acetate 27.4
    tert-butyl acetate 47.63
    decalin 7.09
    glycerin 49.61
    diglyme 133.11
    acrylic acid 94.72
    isopropyl myristate 18.4
    n-butyric acid 74.32
    acetyl acetate 66.21
    di(2-ethylhexyl) phthalate 26.43
    ethyl propionate 44.97
    nitromethane 418.7
    1,2-diethoxyethane 49.34
    benzonitrile 80.87
    trioctyl phosphate 14.48
    1-bromopropane 68.38
    gamma-valerolactone 286.92
    n-decanol 11.1
    triethyl phosphate 33.52
    4-methyl-2-pentanol 10.44
    propionitrile 67.39
    vinylene carbonate 127.5
    1,1,2-trichlorotrifluoroethane 200.08
    DMS 60.06
    cumene 19.5
    2-octanol 8.03
    2-hexanone 44.95
    octyl acetate 23.36
    limonene 18.43
    1,2-dimethoxyethane 184.03
    ethyl orthosilicate 29.19
    tributyl phosphate 24.73
    diacetone alcohol 64.71
    N,N-dimethylaniline 58.6
    acrylonitrile 113.55
    aniline 54.98
    1,3-propanediol 42.48
    bromobenzene 70.56
    dibromomethane 193.41
    1,1,2,2-tetrachloroethane 256.72
    2-methyl-cyclohexyl acetate 39.04
    tetrabutyl urea 36.39
    diisobutyl methanol 9.92
    2-phenylethanol 30.49
    styrene 34.93
    dioctyl adipate 38.72
    dimethyl sulfate 124.04
    ethyl butyrate 36.4
    methyl lactate 46.86
    butyl lactate 26.76
    diethyl carbonate 33.38
    propanediol butyl ether 35.31
    triethyl orthoformate 30.38
    p-tert-butyltoluene 12.55
    methyl 4-tert-butylbenzoate 56.04
    morpholine 138.1
    tert-butylamine 41.75
    n-dodecanol 8.76
    dimethoxymethane 108.45
    ethylene carbonate 87.53
    cyrene 82.81
    2-ethoxyethyl acetate 44.47
    2-ethylhexyl acetate 28.04
    1,2,4-trichlorobenzene 102.29
    4-methylpyridine 153.41
    dibutyl ether 25.79
    2,6-dimethyl-4-heptanol 9.92
    DEF 118.7
    dimethyl isosorbide 123.11
    tetrachloroethylene 135.29
    eugenol 52.45
    triacetin 75.31
    span 80 44.68
    1,4-butanediol 18.1
    1,1-dichloroethane 134.79
    2-methyl-1-pentanol 23.66
    methyl formate 124.29
    2-methyl-1-butanol 24.24
    n-decane 3.36
    butyronitrile 55.71
    3,7-dimethyl-1-octanol 18.71
    1-chlorooctane 13.84
    1-chlorotetradecane 6.22
    n-nonane 3.17
    undecane 2.49
    tert-butylcyclohexane 6.01
    cyclooctane 2.45
    cyclopentanol 50.58
    tetrahydropyran 73.57
    tert-amyl methyl ether 47.64
    2,5,8-trioxanonane 112.33
    1-hexene 20.39
    2-isopropoxyethanol 41.85
    2,2,2-trifluoroethanol 78.45
    methyl butyrate 66.16

    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