1,1-Dibutoxyhexane

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  • Identifiers

    CAS number
    93892-07-0

    Molecular formula
    C14H30O2

    SMILES
    CCCCCC(OCCCC)OCCCC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 95.84%
    Cognac 68.97%
    Apple 65.93%
    Oily 60.39%
    Alcoholic 58.93%
    Fermented 48.26%
    Herbal 43.13%
    Ethereal 42.59%
    Vegetable 42.06%
    Sweet 37.38%

     

    Flavor
    Fruity 65.32%
    Green 61.63%
    Herbal 43.21%
    Sweet 36.6%
    Mushroom 35.78%
    Earthy 34.65%
    Floral 34.48%
    Tropical 30.92%
    Fatty 30.3%
    Oily 28.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    6.99 (neutral)

    Molecular weight
    230.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 99.03 ˚C est.

  • Synonyms

    • 1,1-Dibutoxyhexane
    • 93892-07-0
    • hexanal dibutyl acetal
    • EINECS 299-487-2
    • Hexane, 1,1-dibutoxy-
    • DTXSID10239829
    • SCHEMBL1897872
    • DTXCID10162320
    • XXIXJIRNHGJXBS-UHFFFAOYSA-N
    • NS00039721
    • 299-487-2

  • Applications

    Chemical name: 1,1-Dibutoxyhexane; CAS number: 93892-07-0. 1,1-Dibutoxyhexane is primarily used as an organic solvent and processing aid in industrial manufacturing; as a dialkyl ether it provides a relatively non-polar solvent for organic synthesis and purification and is commonly used as a co-solvent or diluent in coatings, inks, and adhesive formulations. It can also function as an intermediate in the synthesis of other ether-containing compounds and may act as a plasticizer or processing additive for certain polymers, depending on the formulation. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20240.34
    methanol 13131.02
    isopropanol 22166.68
    water 0.97
    ethyl acetate 38353.79
    n-propanol 19405.22
    acetone 38849.73
    n-butanol 22568.46
    acetonitrile 22437.37
    DMF 17236.18
    toluene 16044.89
    isobutanol 19800.24
    1,4-dioxane 32137.77
    methyl acetate 20075.58
    THF 37280.34
    2-butanone 28189.7
    n-pentanol 14838.62
    sec-butanol 23071.83
    n-hexane 25196.48
    ethylene glycol 1013.83
    NMP 17360.82
    cyclohexane 50480.33
    DMSO 20560.69
    n-butyl acetate 43935.68
    n-octanol 11305.72
    chloroform 59370.36
    n-propyl acetate 28236.94
    acetic acid 16501.41
    dichloromethane 57100.36
    cyclohexanone 52919.0
    propylene glycol 2094.97
    isopropyl acetate 28498.68
    DMAc 14101.81
    2-ethoxyethanol 10754.42
    isopentanol 23408.84
    n-heptane 19329.52
    ethyl formate 15948.74
    1,2-dichloroethane 41246.15
    n-hexanol 19056.31
    2-methoxyethanol 14041.25
    isobutyl acetate 16306.36
    tetrachloromethane 17445.85
    n-pentyl acetate 25354.16
    transcutol 28202.1
    n-heptanol 10064.25
    ethylbenzene 10106.21
    MIBK 17672.72
    2-propoxyethanol 14366.16
    tert-butanol 28685.37
    MTBE 38828.09
    2-butoxyethanol 11010.28
    propionic acid 12989.74
    o-xylene 9783.67
    formic acid 1892.7
    diethyl ether 43875.45
    m-xylene 9401.22
    p-xylene 14862.28
    chlorobenzene 20434.14
    dimethyl carbonate 4619.3
    n-octane 6265.44
    formamide 3217.52
    cyclopentanone 32032.32
    2-pentanone 32775.46
    anisole 11359.33
    cyclopentyl methyl ether 30396.14
    gamma-butyrolactone 27477.81
    1-methoxy-2-propanol 12633.61
    pyridine 31732.67
    3-pentanone 22493.61
    furfural 17464.14
    n-dodecane 2526.52
    diethylene glycol 4825.82
    diisopropyl ether 17188.74
    tert-amyl alcohol 26596.28
    acetylacetone 24533.99
    n-hexadecane 3059.85
    acetophenone 11149.97
    methyl propionate 17532.79
    isopentyl acetate 33386.15
    trichloroethylene 55887.73
    n-nonanol 9572.89
    cyclohexanol 32888.47
    benzyl alcohol 7574.0
    2-ethylhexanol 18333.85
    isooctanol 9085.04
    dipropyl ether 33095.2
    1,2-dichlorobenzene 16573.56
    ethyl lactate 5285.02
    propylene carbonate 18071.86
    n-methylformamide 8910.43
    2-pentanol 22202.96
    n-pentane 17710.41
    1-propoxy-2-propanol 17035.28
    1-methoxy-2-propyl acetate 15421.51
    2-(2-methoxypropoxy) propanol 5977.73
    mesitylene 6989.68
    ε-caprolactone 38204.18
    p-cymene 7987.94
    epichlorohydrin 29940.33
    1,1,1-trichloroethane 50889.55
    2-aminoethanol 3252.15
    morpholine-4-carbaldehyde 15352.99
    sulfolane 23289.52
    2,2,4-trimethylpentane 5339.9
    2-methyltetrahydrofuran 42573.75
    n-hexyl acetate 27188.96
    isooctane 4127.49
    2-(2-butoxyethoxy)ethanol 8843.64
    sec-butyl acetate 20027.88
    tert-butyl acetate 23727.61
    decalin 10034.34
    glycerin 2111.72
    diglyme 20803.07
    acrylic acid 7946.37
    isopropyl myristate 8414.75
    n-butyric acid 32228.3
    acetyl acetate 19598.98
    di(2-ethylhexyl) phthalate 3894.27
    ethyl propionate 21999.76
    nitromethane 23209.94
    1,2-diethoxyethane 27923.3
    benzonitrile 16146.42
    trioctyl phosphate 3931.19
    1-bromopropane 42024.66
    gamma-valerolactone 32048.02
    n-decanol 6065.31
    triethyl phosphate 6830.33
    4-methyl-2-pentanol 10845.61
    propionitrile 21018.05
    vinylene carbonate 14614.35
    1,1,2-trichlorotrifluoroethane 16440.08
    DMS 9549.45
    cumene 6656.4
    2-octanol 9713.78
    2-hexanone 24149.94
    octyl acetate 9296.11
    limonene 16107.15
    1,2-dimethoxyethane 27725.55
    ethyl orthosilicate 7892.32
    tributyl phosphate 5883.22
    diacetone alcohol 13492.13
    N,N-dimethylaniline 7600.5
    acrylonitrile 16025.35
    aniline 13094.29
    1,3-propanediol 7586.7
    bromobenzene 25108.45
    dibromomethane 47423.46
    1,1,2,2-tetrachloroethane 49724.78
    2-methyl-cyclohexyl acetate 12627.11
    tetrabutyl urea 7190.71
    diisobutyl methanol 10829.8
    2-phenylethanol 7860.19
    styrene 13041.77
    dioctyl adipate 8788.5
    dimethyl sulfate 5484.6
    ethyl butyrate 28999.24
    methyl lactate 4380.61
    butyl lactate 10543.84
    diethyl carbonate 13495.74
    propanediol butyl ether 7012.29
    triethyl orthoformate 16752.53
    p-tert-butyltoluene 7000.21
    methyl 4-tert-butylbenzoate 7583.66
    morpholine 36914.09
    tert-butylamine 24612.69
    n-dodecanol 4471.29
    dimethoxymethane 13712.45
    ethylene carbonate 17083.39
    cyrene 3746.64
    2-ethoxyethyl acetate 17523.42
    2-ethylhexyl acetate 27245.88
    1,2,4-trichlorobenzene 16273.27
    4-methylpyridine 31918.97
    dibutyl ether 32994.19
    2,6-dimethyl-4-heptanol 10829.8
    DEF 28268.41
    dimethyl isosorbide 8616.89
    tetrachloroethylene 36668.26
    eugenol 5570.11
    triacetin 11298.58
    span 80 7308.12
    1,4-butanediol 3065.96
    1,1-dichloroethane 47315.0
    2-methyl-1-pentanol 14029.64
    methyl formate 6427.3
    2-methyl-1-butanol 20657.39
    n-decane 6001.68
    butyronitrile 31351.29
    3,7-dimethyl-1-octanol 11799.15
    1-chlorooctane 14852.7
    1-chlorotetradecane 4341.55
    n-nonane 7238.42
    undecane 3563.43
    tert-butylcyclohexane 7600.31
    cyclooctane 12423.86
    cyclopentanol 21765.34
    tetrahydropyran 62042.99
    tert-amyl methyl ether 23678.37
    2,5,8-trioxanonane 9233.85
    1-hexene 36523.95
    2-isopropoxyethanol 9253.14
    2,2,2-trifluoroethanol 4068.81
    methyl butyrate 32442.72

    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