1,4-Dioxaspiro(4.4)nonane, 2-butyl-

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  • Identifiers

    CAS number
    78649-62-4

    Molecular formula
    C11H20O2

    SMILES
    CCCCC1COC2(O1)CCCC2

  • Odor profile

    Fragrance
    Green 70.64%
    Herbal 45.08%
    Fresh 37.21%
    Sweet 31.03%
    Fatty 31.02%
    Oily 30.61%
    Metallic 25.65%
    Fruity 25.1%
    Mint 24.34%
    Lactonic 23.92%

     

    Flavor
    Green 39.05%
    Sweet 37.75%
    Fatty 33.16%
    Caramel 32.6%
    Oily 30.39%
    Metallic 29.66%
    Vegetable 29.04%
    Coconut 27.88%
    Earthy 27.42%
    Creamy 26.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.01 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    244°C

    Flash point

    • 85.26 ˚C est.

  • Synonyms

    • 2-butyl-1,4-dioxaspiro[4.4]nonane
    • 78649-62-4
    • 3-butyl-1,4-dioxaspiro[4.4]nonane
    • EINECS 278-963-3
    • 1,4-Dioxaspiro[4.4]nonane, 2-butyl-
    • 2-Butyl-1,4-dioxaspiro(4.4)nonane
    • 1,4-Dioxaspiro(4.4)nonane, 2-butyl-
    • DTXSID30888550
    • SCHEMBL877280
    • RZZUCKICOCVJJN-UHFFFAOYSA-N
    • DTXCID601027827
    • 2-butyl-1,4-dioxaspiro[4,4]nonane
    • 1,4-Dioxaspiro4.4nonane, 2-butyl-
    • NS00012176
    • 278-963-3

  • Applications

    1,4-Dioxaspiro(4.4)nonane, 2-butyl-, CAS 78649-62-4 may be used as an intermediate in organic synthesis and can function as a solvent or co-solvent in specialty industrial formulations. It may serve as a processing aid or plasticizer component in select polymer systems, helping modify flow and flexibility. In perfumery and cosmetics, it may be evaluated as a fragrance ingredient or odorant with possible fixative properties. It can also be employed as a solvent or diluent in coatings, inks, and cleaning formulations, depending on formulation requirements. In household products, it may appear as a solvent component or fragrance carrier under applicable regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3025.62
    methanol 3117.36
    isopropanol 2462.21
    water 2.26
    ethyl acetate 3956.2
    n-propanol 2447.25
    acetone 2528.19
    n-butanol 2492.05
    acetonitrile 2126.19
    DMF 1752.87
    toluene 1928.15
    isobutanol 2073.2
    1,4-dioxane 4205.72
    methyl acetate 2239.22
    THF 5109.7
    2-butanone 2350.79
    n-pentanol 1849.89
    sec-butanol 2064.25
    n-hexane 680.65
    ethylene glycol 374.73
    NMP 1602.78
    cyclohexane 1129.04
    DMSO 1863.88
    n-butyl acetate 3549.22
    n-octanol 1193.07
    chloroform 9454.15
    n-propyl acetate 2430.47
    acetic acid 2515.91
    dichloromethane 7550.65
    cyclohexanone 3926.79
    propylene glycol 577.8
    isopropyl acetate 3305.24
    DMAc 1695.31
    2-ethoxyethanol 2025.68
    isopentanol 2606.54
    n-heptane 427.33
    ethyl formate 1920.64
    1,2-dichloroethane 3644.21
    n-hexanol 2333.88
    2-methoxyethanol 2532.84
    isobutyl acetate 2014.53
    tetrachloromethane 1620.34
    n-pentyl acetate 2124.45
    transcutol 5547.32
    n-heptanol 1095.99
    ethylbenzene 994.2
    MIBK 1923.59
    2-propoxyethanol 2840.64
    tert-butanol 2519.64
    MTBE 2993.89
    2-butoxyethanol 1646.21
    propionic acid 1714.18
    o-xylene 982.42
    formic acid 651.01
    diethyl ether 3378.79
    m-xylene 1193.49
    p-xylene 1330.27
    chlorobenzene 2520.1
    dimethyl carbonate 857.93
    n-octane 189.35
    formamide 703.48
    cyclopentanone 3025.35
    2-pentanone 2498.2
    anisole 1629.29
    cyclopentyl methyl ether 2885.06
    gamma-butyrolactone 3522.55
    1-methoxy-2-propanol 2219.73
    pyridine 3391.33
    3-pentanone 1721.13
    furfural 2763.34
    n-dodecane 177.07
    diethylene glycol 1473.42
    diisopropyl ether 1325.99
    tert-amyl alcohol 1903.01
    acetylacetone 2749.86
    n-hexadecane 206.07
    acetophenone 1455.55
    methyl propionate 1972.23
    isopentyl acetate 3000.74
    trichloroethylene 6338.47
    n-nonanol 1040.44
    cyclohexanol 2500.8
    benzyl alcohol 1300.18
    2-ethylhexanol 1462.76
    isooctanol 925.73
    dipropyl ether 1718.98
    1,2-dichlorobenzene 2181.2
    ethyl lactate 768.98
    propylene carbonate 2708.67
    n-methylformamide 1105.99
    2-pentanol 1978.96
    n-pentane 617.58
    1-propoxy-2-propanol 2091.52
    1-methoxy-2-propyl acetate 2355.43
    2-(2-methoxypropoxy) propanol 1292.46
    mesitylene 799.95
    ε-caprolactone 3933.52
    p-cymene 647.31
    epichlorohydrin 3849.66
    1,1,1-trichloroethane 4148.88
    2-aminoethanol 849.5
    morpholine-4-carbaldehyde 2293.68
    sulfolane 2658.78
    2,2,4-trimethylpentane 320.11
    2-methyltetrahydrofuran 4056.11
    n-hexyl acetate 2745.3
    isooctane 286.6
    2-(2-butoxyethoxy)ethanol 1820.57
    sec-butyl acetate 1994.51
    tert-butyl acetate 2553.86
    decalin 467.53
    glycerin 713.1
    diglyme 3156.87
    acrylic acid 1190.64
    isopropyl myristate 964.21
    n-butyric acid 3909.32
    acetyl acetate 2703.8
    di(2-ethylhexyl) phthalate 729.55
    ethyl propionate 1894.04
    nitromethane 2589.95
    1,2-diethoxyethane 2841.91
    benzonitrile 2191.83
    trioctyl phosphate 553.54
    1-bromopropane 2956.27
    gamma-valerolactone 3612.84
    n-decanol 718.5
    triethyl phosphate 700.04
    4-methyl-2-pentanol 1290.61
    propionitrile 2257.83
    vinylene carbonate 2501.67
    1,1,2-trichlorotrifluoroethane 2502.36
    DMS 1550.98
    cumene 697.37
    2-octanol 823.19
    2-hexanone 1950.0
    octyl acetate 1134.75
    limonene 966.21
    1,2-dimethoxyethane 3461.34
    ethyl orthosilicate 751.57
    tributyl phosphate 779.46
    diacetone alcohol 1627.93
    N,N-dimethylaniline 989.7
    acrylonitrile 1958.59
    aniline 1734.97
    1,3-propanediol 1595.27
    bromobenzene 3003.32
    dibromomethane 5321.45
    1,1,2,2-tetrachloroethane 5204.16
    2-methyl-cyclohexyl acetate 1355.03
    tetrabutyl urea 828.86
    diisobutyl methanol 779.76
    2-phenylethanol 1501.88
    styrene 1322.54
    dioctyl adipate 1133.78
    dimethyl sulfate 946.28
    ethyl butyrate 1973.71
    methyl lactate 825.77
    butyl lactate 1172.26
    diethyl carbonate 1208.13
    propanediol butyl ether 1246.42
    triethyl orthoformate 1311.91
    p-tert-butyltoluene 619.54
    methyl 4-tert-butylbenzoate 1194.82
    morpholine 3969.73
    tert-butylamine 1929.08
    n-dodecanol 540.67
    dimethoxymethane 2095.77
    ethylene carbonate 2590.66
    cyrene 852.07
    2-ethoxyethyl acetate 2152.45
    2-ethylhexyl acetate 2313.02
    1,2,4-trichlorobenzene 2253.48
    4-methylpyridine 3427.48
    dibutyl ether 1792.5
    2,6-dimethyl-4-heptanol 779.76
    DEF 2301.71
    dimethyl isosorbide 1768.84
    tetrachloroethylene 3530.24
    eugenol 1025.21
    triacetin 1734.99
    span 80 1170.19
    1,4-butanediol 706.62
    1,1-dichloroethane 4464.9
    2-methyl-1-pentanol 1756.63
    methyl formate 1020.01
    2-methyl-1-butanol 2078.58
    n-decane 294.61
    butyronitrile 3011.69
    3,7-dimethyl-1-octanol 1233.7
    1-chlorooctane 987.87
    1-chlorotetradecane 405.05
    n-nonane 288.3
    undecane 218.31
    tert-butylcyclohexane 418.34
    cyclooctane 425.35
    cyclopentanol 1959.51
    tetrahydropyran 4593.85
    tert-amyl methyl ether 1794.64
    2,5,8-trioxanonane 1821.39
    1-hexene 1786.84
    2-isopropoxyethanol 1661.78
    2,2,2-trifluoroethanol 732.3
    methyl butyrate 2623.01

    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