1,1-Dibutoxyheptane

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  • Identifiers

    CAS number
    92867-45-3

    Molecular formula
    C15H32O2

    SMILES
    CCCCCCC(OCCCC)OCCCC

  • Odor profile

    Fragrance
    Green 95.18%
    Oily 65.52%
    Cognac 64.36%
    Apple 62.76%
    Alcoholic 49.97%
    Herbal 46.11%
    Fermented 41.67%
    Vegetable 39.82%
    Sweet 36.48%
    Ethereal 34.9%

     

    Flavor
    Fruity 61.97%
    Green 61.57%
    Herbal 43.04%
    Floral 40.0%
    Mushroom 38.37%
    Earthy 34.93%
    Sweet 33.35%
    Waxy 33.23%
    Fatty 31.9%
    Oily 31.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    6.87 (neutral)

    Molecular weight
    244.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Flash point

    • 109.0 ˚C est.

  • Synonyms

    • 92867-45-3
    • 1,1-dibutoxyheptane
    • NSC408293
    • SCHEMBL9809154
    • DTXSID30325036
    • NSC-408293

  • Applications

    1,1-Dibutoxyheptane is commonly used as an intermediate in organic synthesis and as a solvent or diluent for coatings, varnishes, inks, and cleaning formulations; it can act as a plasticizer in polymer formulations; in perfumery and fragrance contexts it may serve as a solvent or fragrance carrier; it is also evaluated for adhesive formulations and related materials; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15092.21
    methanol 9071.44
    isopropanol 17222.36
    water 0.46
    ethyl acetate 35421.52
    n-propanol 15954.32
    acetone 33422.55
    n-butanol 18664.73
    acetonitrile 19148.07
    DMF 14947.21
    toluene 15149.45
    isobutanol 15889.64
    1,4-dioxane 27301.4
    methyl acetate 18529.25
    THF 33115.71
    2-butanone 26682.1
    n-pentanol 12481.95
    sec-butanol 19439.83
    n-hexane 23562.66
    ethylene glycol 661.94
    NMP 16047.19
    cyclohexane 45507.55
    DMSO 19090.91
    n-butyl acetate 39975.93
    n-octanol 9622.98
    chloroform 53763.16
    n-propyl acetate 27919.7
    acetic acid 11818.9
    dichloromethane 53253.98
    cyclohexanone 49804.9
    propylene glycol 1529.4
    isopropyl acetate 26740.71
    DMAc 13030.12
    2-ethoxyethanol 9248.45
    isopentanol 19852.9
    n-heptane 17440.47
    ethyl formate 13670.47
    1,2-dichloroethane 39955.79
    n-hexanol 15621.9
    2-methoxyethanol 11455.02
    isobutyl acetate 15863.86
    tetrachloromethane 15814.41
    n-pentyl acetate 24353.55
    transcutol 26276.68
    n-heptanol 8449.11
    ethylbenzene 10145.67
    MIBK 17383.95
    2-propoxyethanol 12253.96
    tert-butanol 22865.21
    MTBE 34950.43
    2-butoxyethanol 9536.02
    propionic acid 10699.27
    o-xylene 9534.42
    formic acid 1254.19
    diethyl ether 40189.59
    m-xylene 9015.36
    p-xylene 14332.11
    chlorobenzene 19710.51
    dimethyl carbonate 4145.56
    n-octane 5516.58
    formamide 2397.41
    cyclopentanone 30980.89
    2-pentanone 30763.58
    anisole 10932.17
    cyclopentyl methyl ether 29691.43
    gamma-butyrolactone 25358.52
    1-methoxy-2-propanol 10844.6
    pyridine 28818.1
    3-pentanone 21752.36
    furfural 16212.71
    n-dodecane 2222.89
    diethylene glycol 3866.61
    diisopropyl ether 16922.83
    tert-amyl alcohol 22124.72
    acetylacetone 22495.62
    n-hexadecane 2715.13
    acetophenone 10981.61
    methyl propionate 16343.38
    isopentyl acetate 30305.45
    trichloroethylene 52174.67
    n-nonanol 8295.83
    cyclohexanol 28810.52
    benzyl alcohol 6909.58
    2-ethylhexanol 16010.55
    isooctanol 7995.75
    dipropyl ether 30442.86
    1,2-dichlorobenzene 16582.96
    ethyl lactate 4903.14
    propylene carbonate 16797.13
    n-methylformamide 7424.69
    2-pentanol 18730.67
    n-pentane 16030.78
    1-propoxy-2-propanol 15125.43
    1-methoxy-2-propyl acetate 14619.41
    2-(2-methoxypropoxy) propanol 5487.51
    mesitylene 6896.46
    ε-caprolactone 35882.86
    p-cymene 7780.34
    epichlorohydrin 28241.83
    1,1,1-trichloroethane 47257.6
    2-aminoethanol 2397.06
    morpholine-4-carbaldehyde 13926.21
    sulfolane 22742.79
    2,2,4-trimethylpentane 5258.49
    2-methyltetrahydrofuran 40005.46
    n-hexyl acetate 25431.65
    isooctane 4010.17
    2-(2-butoxyethoxy)ethanol 8046.94
    sec-butyl acetate 20021.15
    tert-butyl acetate 23387.09
    decalin 9682.34
    glycerin 1531.42
    diglyme 19257.81
    acrylic acid 6428.2
    isopropyl myristate 7769.26
    n-butyric acid 26423.2
    acetyl acetate 17733.59
    di(2-ethylhexyl) phthalate 3658.03
    ethyl propionate 21995.86
    nitromethane 19279.11
    1,2-diethoxyethane 26751.06
    benzonitrile 14883.03
    trioctyl phosphate 3620.34
    1-bromopropane 39827.57
    gamma-valerolactone 29705.15
    n-decanol 5288.79
    triethyl phosphate 6650.3
    4-methyl-2-pentanol 9801.02
    propionitrile 18379.31
    vinylene carbonate 13194.85
    1,1,2-trichlorotrifluoroethane 14975.1
    DMS 9039.51
    cumene 6476.64
    2-octanol 8599.43
    2-hexanone 23228.59
    octyl acetate 8556.25
    limonene 15748.04
    1,2-dimethoxyethane 24747.28
    ethyl orthosilicate 7605.79
    tributyl phosphate 5421.79
    diacetone alcohol 12601.8
    N,N-dimethylaniline 7519.22
    acrylonitrile 13761.98
    aniline 12101.11
    1,3-propanediol 5734.8
    bromobenzene 24781.04
    dibromomethane 44439.32
    1,1,2,2-tetrachloroethane 47299.7
    2-methyl-cyclohexyl acetate 12287.13
    tetrabutyl urea 6791.63
    diisobutyl methanol 9708.89
    2-phenylethanol 7038.02
    styrene 12797.06
    dioctyl adipate 8316.27
    dimethyl sulfate 5263.82
    ethyl butyrate 27644.74
    methyl lactate 3932.5
    butyl lactate 10010.7
    diethyl carbonate 12700.61
    propanediol butyl ether 6226.21
    triethyl orthoformate 15933.11
    p-tert-butyltoluene 6712.88
    methyl 4-tert-butylbenzoate 7158.19
    morpholine 31917.13
    tert-butylamine 20445.99
    n-dodecanol 3860.44
    dimethoxymethane 12175.97
    ethylene carbonate 15439.62
    cyrene 3560.37
    2-ethoxyethyl acetate 16965.71
    2-ethylhexyl acetate 25494.74
    1,2,4-trichlorobenzene 15926.6
    4-methylpyridine 30298.96
    dibutyl ether 31369.49
    2,6-dimethyl-4-heptanol 9708.89
    DEF 27246.17
    dimethyl isosorbide 8442.82
    tetrachloroethylene 33379.51
    eugenol 5346.1
    triacetin 11142.35
    span 80 6579.88
    1,4-butanediol 2476.93
    1,1-dichloroethane 44104.6
    2-methyl-1-pentanol 12356.84
    methyl formate 5300.3
    2-methyl-1-butanol 17776.69
    n-decane 5286.54
    butyronitrile 27449.01
    3,7-dimethyl-1-octanol 10307.57
    1-chlorooctane 13670.86
    1-chlorotetradecane 3968.66
    n-nonane 6390.03
    undecane 3141.84
    tert-butylcyclohexane 7354.09
    cyclooctane 11484.02
    cyclopentanol 18698.93
    tetrahydropyran 57497.96
    tert-amyl methyl ether 22592.31
    2,5,8-trioxanonane 8522.41
    1-hexene 34564.94
    2-isopropoxyethanol 8111.13
    2,2,2-trifluoroethanol 3162.18
    methyl butyrate 31798.97

    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