1,3-Butanediol diacetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1117-31-3

    Molecular formula
    C8H14O4

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.4%
    Ethereal 50.85%
    Fresh 47.54%
    Sweet 46.98%
    Apple 46.75%
    Green 46.56%
    Winey 39.4%
    Grape 32.77%
    Rummy 32.21%
    Banana 31.44%

     

    Flavor
    Fruity 89.09%
    Sweet 57.95%
    Bitter 51.3%
    Green 47.01%
    Tropical 46.42%
    Banana 41.75%
    Fruit 39.07%
    Ethereal 37.15%
    Fresh 34.58%
    Pineapple 33.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.37 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    205°C

    Flash point

    • 89.64 ˚C est.

  • Synonyms

    • 1,3-Butanediol diacetate
    • 1117-31-3
    • 1,3-Butylene diacetate
    • 1,3-Butylene glycol diacetate
    • 1,3-Butanediol, diacetate
    • 1,3-Butanediol, 1,3-diacetate
    • BUTANE-1,3-DIOL DIACETATE
    • EINECS 214-244-2
    • NSC 67338
    • NSC-67338
    • 5847L0XU44
    • AI3-11158
    • J110.690B
    • 1,3-BGDA
    • 1,3-BUTANEDIYL DIACETATE
    • DTXSID00862549
    • EC 214-244-2
    • RefChem:414125
    • DTXCID60811295
    • (+-)-1,3-DIACETOXYBUTANE
    • 1,3-BUTANEDIOL DIACETATE, (+-)-
    • 214-244-2
    • Butane-1,3-diyl diacetate
    • 1,3-Diacetoxybutane
    • 3-acetyloxybutyl acetate
    • MFCD00008710
    • 106484-02-0
    • UNII-5847L0XU44
    • 3-acetoxybutyl acetate
    • 1,3-butandiol-diacetat
    • 1,3-Butandiol diacetate
    • Butane-1,3-diyldiacetate
    • 3-(Acetyloxy)butyl acetate
    • NCIOpen2_000038
    • 3-(Acetyloxy)butyl acetate #
    • SCHEMBL2545617
    • SCHEMBL11461584
    • SCHEMBL28207165
    • DTXSID60275772
    • 3-acetyloxy-1-methylpropyl acetate
    • NSC67338
    • SBB060702
    • (+/-)-1,3-DIACETOXYBUTANE
    • AKOS006228776
    • BS-51025
    • SY101166
    • CS-0154045
    • NS00003683
    • ST50410075
    • 1,3-BUTANEDIOL DIACETATE, (+/-)-
    • D70969
    • Q27261548
    • 1117-31-3

  • Applications

    1,3-Butanediol diacetate (CAS 1117-31-3) is primarily used as a plasticizer and processing solvent in polymers and coatings, helping to improve flexibility and tune volatility. It is also a building block for the synthesis of specialty esters and fragrance components in perfumery and personal care, and is employed as a solvent or co-solvent in paints, inks, and adhesives. Additionally, it may serve as a processing solvent and feedstock for the production of fragrance-related chemicals and other industrial esters, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 610.68
    methanol 1009.66
    isopropanol 469.7
    water 200.63
    ethyl acetate 463.83
    n-propanol 357.45
    acetone 1104.55
    n-butanol 267.23
    acetonitrile 707.0
    DMF 2211.29
    toluene 112.97
    isobutanol 258.86
    1,4-dioxane 665.23
    methyl acetate 583.07
    THF 1029.0
    2-butanone 463.77
    n-pentanol 163.51
    sec-butanol 303.25
    n-hexane 20.13
    ethylene glycol 300.5
    NMP 2232.77
    cyclohexane 17.9
    DMSO 1449.06
    n-butyl acetate 97.22
    n-octanol 91.51
    chloroform 575.34
    n-propyl acetate 162.31
    acetic acid 1766.96
    dichloromethane 680.64
    cyclohexanone 605.09
    propylene glycol 361.53
    isopropyl acetate 245.1
    DMAc 1996.42
    2-ethoxyethanol 453.46
    isopentanol 200.88
    n-heptane 7.61
    ethyl formate 385.58
    1,2-dichloroethane 350.7
    n-hexanol 81.37
    2-methoxyethanol 1051.05
    isobutyl acetate 95.14
    tetrachloromethane 48.44
    n-pentyl acetate 86.54
    transcutol 924.12
    n-heptanol 45.04
    ethylbenzene 65.84
    MIBK 177.62
    2-propoxyethanol 292.61
    tert-butanol 568.27
    MTBE 286.68
    2-butoxyethanol 127.61
    propionic acid 676.85
    o-xylene 115.47
    formic acid 1075.48
    diethyl ether 252.69
    m-xylene 95.24
    p-xylene 107.39
    chlorobenzene 164.52
    dimethyl carbonate 291.24
    n-octane 5.98
    formamide 1200.89
    cyclopentanone 834.14
    2-pentanone 336.02
    anisole 212.6
    cyclopentyl methyl ether 381.17
    gamma-butyrolactone 1374.6
    1-methoxy-2-propanol 688.38
    pyridine 393.35
    3-pentanone 260.62
    furfural 1092.9
    n-dodecane 8.23
    diethylene glycol 326.19
    diisopropyl ether 60.59
    tert-amyl alcohol 375.38
    acetylacetone 591.94
    n-hexadecane 9.05
    acetophenone 250.37
    methyl propionate 452.37
    isopentyl acetate 90.05
    trichloroethylene 649.18
    n-nonanol 79.39
    cyclohexanol 305.36
    benzyl alcohol 216.84
    2-ethylhexanol 49.39
    isooctanol 40.74
    dipropyl ether 70.05
    1,2-dichlorobenzene 167.05
    ethyl lactate 135.32
    propylene carbonate 608.79
    n-methylformamide 1012.03
    2-pentanol 168.93
    n-pentane 17.0
    1-propoxy-2-propanol 170.67
    1-methoxy-2-propyl acetate 183.43
    2-(2-methoxypropoxy) propanol 259.77
    mesitylene 58.57
    ε-caprolactone 605.27
    p-cymene 35.07
    epichlorohydrin 933.68
    1,1,1-trichloroethane 278.67
    2-aminoethanol 437.45
    morpholine-4-carbaldehyde 1591.21
    sulfolane 1431.7
    2,2,4-trimethylpentane 13.86
    2-methyltetrahydrofuran 569.9
    n-hexyl acetate 178.69
    isooctane 7.34
    2-(2-butoxyethoxy)ethanol 284.85
    sec-butyl acetate 113.55
    tert-butyl acetate 236.45
    decalin 17.63
    glycerin 580.17
    diglyme 469.29
    acrylic acid 692.93
    isopropyl myristate 70.27
    n-butyric acid 555.94
    acetyl acetate 363.87
    di(2-ethylhexyl) phthalate 82.82
    ethyl propionate 210.16
    nitromethane 2567.1
    1,2-diethoxyethane 174.08
    benzonitrile 243.35
    trioctyl phosphate 52.48
    1-bromopropane 153.24
    gamma-valerolactone 1413.43
    n-decanol 56.93
    triethyl phosphate 74.89
    4-methyl-2-pentanol 89.41
    propionitrile 310.47
    vinylene carbonate 570.69
    1,1,2-trichlorotrifluoroethane 714.28
    DMS 243.03
    cumene 56.36
    2-octanol 44.14
    2-hexanone 157.5
    octyl acetate 95.44
    limonene 48.46
    1,2-dimethoxyethane 694.01
    ethyl orthosilicate 70.17
    tributyl phosphate 78.11
    diacetone alcohol 334.26
    N,N-dimethylaniline 180.4
    acrylonitrile 470.9
    aniline 266.76
    1,3-propanediol 492.71
    bromobenzene 134.1
    dibromomethane 322.5
    1,1,2,2-tetrachloroethane 492.88
    2-methyl-cyclohexyl acetate 101.41
    tetrabutyl urea 117.37
    diisobutyl methanol 35.15
    2-phenylethanol 108.89
    styrene 78.41
    dioctyl adipate 129.95
    dimethyl sulfate 638.78
    ethyl butyrate 107.66
    methyl lactate 314.71
    butyl lactate 99.89
    diethyl carbonate 91.19
    propanediol butyl ether 209.97
    triethyl orthoformate 84.94
    p-tert-butyltoluene 33.84
    methyl 4-tert-butylbenzoate 199.61
    morpholine 836.38
    tert-butylamine 270.76
    n-dodecanol 43.89
    dimethoxymethane 748.66
    ethylene carbonate 407.53
    cyrene 287.45
    2-ethoxyethyl acetate 163.11
    2-ethylhexyl acetate 70.74
    1,2,4-trichlorobenzene 224.99
    4-methylpyridine 546.0
    dibutyl ether 99.51
    2,6-dimethyl-4-heptanol 35.15
    DEF 566.12
    dimethyl isosorbide 381.94
    tetrachloroethylene 264.22
    eugenol 182.04
    triacetin 286.14
    span 80 190.71
    1,4-butanediol 178.96
    1,1-dichloroethane 346.76
    2-methyl-1-pentanol 137.84
    methyl formate 826.74
    2-methyl-1-butanol 214.38
    n-decane 12.47
    butyronitrile 266.95
    3,7-dimethyl-1-octanol 79.12
    1-chlorooctane 49.23
    1-chlorotetradecane 22.98
    n-nonane 11.75
    undecane 9.78
    tert-butylcyclohexane 18.14
    cyclooctane 7.03
    cyclopentanol 397.38
    tetrahydropyran 415.9
    tert-amyl methyl ether 227.91
    2,5,8-trioxanonane 389.77
    1-hexene 64.02
    2-isopropoxyethanol 248.32
    2,2,2-trifluoroethanol 633.95
    methyl butyrate 264.65

    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