1,1-Diethoxybutan-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6136-92-1

    Molecular formula
    C8H16O3

    SMILES
    CCC(=O)C(OCC)OCC

  • Odor profile

    Fragrance
    Fruity 80.26%
    Ethereal 55.72%
    Buttery 41.18%
    Caramellic 36.04%
    Sweet 34.22%
    Nutty 32.53%
    Alcoholic 27.71%
    Fermented 26.98%
    Pungent 26.9%
    Rummy 26.72%

     

    Flavor
    Fruity 53.87%
    Sweet 43.46%
    Fatty 40.14%
    Nutty 34.86%
    Vegetable 34.71%
    Creamy 33.08%
    Earthy 30.67%
    Musty 30.17%
    Green 29.91%
    Fruit 29.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.78 (neutral)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point

    • 58.01 ˚C est.

  • Synonyms

    • 1,1-diethoxybutan-2-one
    • EINECS 243-507-4
    • SCHEMBL178955
    • DTXSID40864946
    • AKOS018048070
    • 6136-92-1

  • Applications

    1,1-Diethoxybutan-2-one (CAS 6136-92-1) is used primarily as an intermediate in organic synthesis, serving as a building block for the construction of more complex molecules; in industry it is often regarded as a solvent or reaction medium to support manufacturing processes; in fragrance chemistry it can be evaluated as an odorant precursor and may form part of fragrance systems used in perfumery; in addition, the compound may be employed as a solvent or processing aid in coatings, inks, and surface-treatment formulations, and can act as a precursor or additive for polymers and plastics to tune processing and material properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1144.09
    methanol 1623.96
    isopropanol 912.52
    water 13.78
    ethyl acetate 1067.91
    n-propanol 979.85
    acetone 1525.54
    n-butanol 791.22
    acetonitrile 1860.58
    DMF 1888.15
    toluene 642.36
    isobutanol 743.04
    1,4-dioxane 1699.96
    methyl acetate 1304.48
    THF 1510.38
    2-butanone 1148.71
    n-pentanol 682.68
    sec-butanol 967.45
    n-hexane 217.28
    ethylene glycol 389.12
    NMP 1890.81
    cyclohexane 586.93
    DMSO 1561.28
    n-butyl acetate 977.23
    n-octanol 567.94
    chloroform 6518.13
    n-propyl acetate 880.95
    acetic acid 2129.28
    dichloromethane 6419.36
    cyclohexanone 1883.15
    propylene glycol 433.36
    isopropyl acetate 561.15
    DMAc 1517.43
    2-ethoxyethanol 930.7
    isopentanol 568.85
    n-heptane 192.9
    ethyl formate 1295.0
    1,2-dichloroethane 2927.16
    n-hexanol 606.67
    2-methoxyethanol 1338.69
    isobutyl acetate 464.04
    tetrachloromethane 1272.32
    n-pentyl acetate 729.11
    transcutol 1261.86
    n-heptanol 412.85
    ethylbenzene 501.65
    MIBK 402.95
    2-propoxyethanol 778.91
    tert-butanol 914.62
    MTBE 650.96
    2-butoxyethanol 606.03
    propionic acid 1283.74
    o-xylene 517.31
    formic acid 712.8
    diethyl ether 689.53
    m-xylene 372.51
    p-xylene 807.6
    chlorobenzene 1656.57
    dimethyl carbonate 444.72
    n-octane 113.72
    formamide 922.19
    cyclopentanone 1741.08
    2-pentanone 724.12
    anisole 853.61
    cyclopentyl methyl ether 705.64
    gamma-butyrolactone 2297.63
    1-methoxy-2-propanol 808.37
    pyridine 2345.69
    3-pentanone 709.25
    furfural 2635.35
    n-dodecane 103.34
    diethylene glycol 644.16
    diisopropyl ether 226.23
    tert-amyl alcohol 896.57
    acetylacetone 867.93
    n-hexadecane 117.39
    acetophenone 937.08
    methyl propionate 869.4
    isopentyl acetate 722.53
    trichloroethylene 5947.82
    n-nonanol 457.04
    cyclohexanol 1127.86
    benzyl alcohol 890.61
    2-ethylhexanol 477.66
    isooctanol 330.7
    dipropyl ether 459.43
    1,2-dichlorobenzene 1597.75
    ethyl lactate 484.37
    propylene carbonate 1596.36
    n-methylformamide 1268.23
    2-pentanol 540.04
    n-pentane 194.94
    1-propoxy-2-propanol 595.48
    1-methoxy-2-propyl acetate 569.62
    2-(2-methoxypropoxy) propanol 486.26
    mesitylene 275.3
    ε-caprolactone 1709.46
    p-cymene 360.53
    epichlorohydrin 2367.5
    1,1,1-trichloroethane 2875.93
    2-aminoethanol 611.87
    morpholine-4-carbaldehyde 1512.83
    sulfolane 2433.01
    2,2,4-trimethylpentane 116.57
    2-methyltetrahydrofuran 1274.78
    n-hexyl acetate 1013.33
    isooctane 62.9
    2-(2-butoxyethoxy)ethanol 579.52
    sec-butyl acetate 468.51
    tert-butyl acetate 493.44
    decalin 219.88
    glycerin 534.23
    diglyme 1357.32
    acrylic acid 1346.58
    isopropyl myristate 377.72
    n-butyric acid 1397.85
    acetyl acetate 783.31
    di(2-ethylhexyl) phthalate 346.55
    ethyl propionate 760.07
    nitromethane 2700.04
    1,2-diethoxyethane 663.19
    benzonitrile 1604.32
    trioctyl phosphate 298.5
    1-bromopropane 1494.07
    gamma-valerolactone 2020.67
    n-decanol 335.17
    triethyl phosphate 431.31
    4-methyl-2-pentanol 266.17
    propionitrile 1347.89
    vinylene carbonate 1776.61
    1,1,2-trichlorotrifluoroethane 1971.18
    DMS 719.8
    cumene 360.69
    2-octanol 393.67
    2-hexanone 731.42
    octyl acetate 512.2
    limonene 501.98
    1,2-dimethoxyethane 1641.24
    ethyl orthosilicate 371.85
    tributyl phosphate 367.13
    diacetone alcohol 536.41
    N,N-dimethylaniline 594.46
    acrylonitrile 1826.17
    aniline 881.86
    1,3-propanediol 748.22
    bromobenzene 1864.93
    dibromomethane 3944.88
    1,1,2,2-tetrachloroethane 4476.64
    2-methyl-cyclohexyl acetate 572.62
    tetrabutyl urea 450.67
    diisobutyl methanol 254.59
    2-phenylethanol 655.76
    styrene 742.46
    dioctyl adipate 592.12
    dimethyl sulfate 685.51
    ethyl butyrate 790.87
    methyl lactate 514.71
    butyl lactate 519.83
    diethyl carbonate 678.11
    propanediol butyl ether 560.49
    triethyl orthoformate 527.64
    p-tert-butyltoluene 330.08
    methyl 4-tert-butylbenzoate 693.23
    morpholine 1632.61
    tert-butylamine 659.22
    n-dodecanol 269.49
    dimethoxymethane 887.25
    ethylene carbonate 1403.76
    cyrene 542.91
    2-ethoxyethyl acetate 684.84
    2-ethylhexyl acetate 612.8
    1,2,4-trichlorobenzene 1726.56
    4-methylpyridine 1915.08
    dibutyl ether 583.63
    2,6-dimethyl-4-heptanol 254.59
    DEF 1020.17
    dimethyl isosorbide 762.43
    tetrachloroethylene 3380.7
    eugenol 631.56
    triacetin 806.62
    span 80 523.12
    1,4-butanediol 478.76
    1,1-dichloroethane 2888.12
    2-methyl-1-pentanol 557.0
    methyl formate 1242.05
    2-methyl-1-butanol 639.81
    n-decane 161.48
    butyronitrile 1325.65
    3,7-dimethyl-1-octanol 442.4
    1-chlorooctane 527.3
    1-chlorotetradecane 223.52
    n-nonane 169.13
    undecane 123.69
    tert-butylcyclohexane 170.87
    cyclooctane 162.06
    cyclopentanol 1204.52
    tetrahydropyran 1395.76
    tert-amyl methyl ether 518.29
    2,5,8-trioxanonane 832.77
    1-hexene 565.74
    2-isopropoxyethanol 594.14
    2,2,2-trifluoroethanol 710.05
    methyl butyrate 1173.86

    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