(Dibutoxymethyl)benzene

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  • Identifiers

    CAS number
    5395-08-4

    Molecular formula
    C15H24O2

    SMILES
    CCCCOC(C1=CC=CC=C1)OCCCC

  • Odor profile

    Fragrance
    Sweet 79.44%
    Herbal 60.12%
    Fruity 56.86%
    Green 49.16%
    Almond 46.42%
    Floral 43.18%
    Spicy 41.68%
    Bitter 40.11%
    Cherry 37.92%
    Balsamic 36.64%

     

    Flavor
    Green 60.58%
    Fruity 56.75%
    Floral 54.27%
    Earthy 42.08%
    Rose 35.43%
    Mushroom 34.64%
    Sweet 30.08%
    Spicy 28.77%
    Wine 27.65%
    Tropical 26.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.51 (neutral)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    281°C

    Flash point

    • 123.05 ˚C est.

  • Synonyms

    • (dibutoxymethyl)benzene
    • 5395-08-4
    • Benzaldehyde dibutyl acetal
    • NSC106
    • benzaldehyde di-n-butyl acetal
    • SCHEMBL10717745
    • DTXSID30276958
    • NSC-106
    • WSVMGQQPLZDDQN-UHFFFAOYSA-N
    • BENZALDEHYDE, DIBUTYL ACETAL
    • Q63395679

  • Applications

    The chemical (Dibutoxymethyl)benzene, CAS 5395-08-4, is primarily used as an intermediate in organic synthesis, providing a versatile aryl building block for the production of dyes, specialty chemicals, and polymer precursors. In formulation work, it can function as a solvent or diluent and as a reactive diluent or plasticizer in coatings, inks, and adhesive systems. It may also be evaluated as a precursor for fragrance-related compounds in perfumery and as a starting material for specialty resins and other industrial chemicals, within the constraints of formulation regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5592.6
    methanol 4017.8
    isopropanol 4435.36
    water 1.12
    ethyl acetate 10253.64
    n-propanol 4790.75
    acetone 12764.38
    n-butanol 5590.92
    acetonitrile 9457.53
    DMF 7382.33
    toluene 4300.29
    isobutanol 4684.93
    1,4-dioxane 8759.01
    methyl acetate 6829.26
    THF 8708.02
    2-butanone 7736.18
    n-pentanol 3432.52
    sec-butanol 4322.14
    n-hexane 3184.74
    ethylene glycol 428.53
    NMP 5654.42
    cyclohexane 7300.45
    DMSO 6820.56
    n-butyl acetate 9304.07
    n-octanol 2381.49
    chloroform 24866.29
    n-propyl acetate 7298.74
    acetic acid 6509.55
    dichloromethane 25491.49
    cyclohexanone 13981.68
    propylene glycol 711.49
    isopropyl acetate 6095.52
    DMAc 5224.16
    2-ethoxyethanol 3200.51
    isopentanol 5023.08
    n-heptane 2072.04
    ethyl formate 5504.54
    1,2-dichloroethane 18832.01
    n-hexanol 4349.11
    2-methoxyethanol 4460.19
    isobutyl acetate 3871.48
    tetrachloromethane 4678.31
    n-pentyl acetate 4968.13
    transcutol 8815.82
    n-heptanol 2071.81
    ethylbenzene 2746.37
    MIBK 3822.07
    2-propoxyethanol 3878.06
    tert-butanol 5262.69
    MTBE 6616.86
    2-butoxyethanol 2700.53
    propionic acid 4481.81
    o-xylene 2449.35
    formic acid 920.46
    diethyl ether 9866.88
    m-xylene 2368.58
    p-xylene 3900.46
    chlorobenzene 7550.03
    dimethyl carbonate 2356.28
    n-octane 869.2
    formamide 1853.51
    cyclopentanone 9679.47
    2-pentanone 7999.07
    anisole 3850.83
    cyclopentyl methyl ether 6103.47
    gamma-butyrolactone 9509.22
    1-methoxy-2-propanol 3386.74
    pyridine 10143.46
    3-pentanone 6418.56
    furfural 6923.26
    n-dodecane 438.1
    diethylene glycol 1797.04
    diisopropyl ether 3028.44
    tert-amyl alcohol 4487.8
    acetylacetone 7068.74
    n-hexadecane 512.55
    acetophenone 3693.79
    methyl propionate 5955.47
    isopentyl acetate 6464.18
    trichloroethylene 26985.21
    n-nonanol 2027.73
    cyclohexanol 6798.64
    benzyl alcohol 2552.21
    2-ethylhexanol 3313.41
    isooctanol 1833.3
    dipropyl ether 5750.96
    1,2-dichlorobenzene 6614.93
    ethyl lactate 1722.67
    propylene carbonate 6457.45
    n-methylformamide 3659.05
    2-pentanol 4682.61
    n-pentane 2419.3
    1-propoxy-2-propanol 3706.25
    1-methoxy-2-propyl acetate 3737.07
    2-(2-methoxypropoxy) propanol 1726.36
    mesitylene 1647.76
    ε-caprolactone 9682.69
    p-cymene 1609.43
    epichlorohydrin 11974.21
    1,1,1-trichloroethane 16843.27
    2-aminoethanol 1196.96
    morpholine-4-carbaldehyde 5005.4
    sulfolane 8165.46
    2,2,4-trimethylpentane 784.04
    2-methyltetrahydrofuran 8031.35
    n-hexyl acetate 5577.68
    isooctane 624.3
    2-(2-butoxyethoxy)ethanol 2667.56
    sec-butyl acetate 4302.45
    tert-butyl acetate 4669.11
    decalin 1677.98
    glycerin 798.91
    diglyme 5978.95
    acrylic acid 3360.24
    isopropyl myristate 1999.36
    n-butyric acid 9063.43
    acetyl acetate 6060.15
    di(2-ethylhexyl) phthalate 1112.82
    ethyl propionate 5728.28
    nitromethane 10310.6
    1,2-diethoxyethane 6428.99
    benzonitrile 4880.72
    trioctyl phosphate 1040.69
    1-bromopropane 11685.67
    gamma-valerolactone 9532.99
    n-decanol 1384.59
    triethyl phosphate 1762.48
    4-methyl-2-pentanol 2025.49
    propionitrile 6768.17
    vinylene carbonate 5885.57
    1,1,2-trichlorotrifluoroethane 6086.41
    DMS 3172.26
    cumene 1691.26
    2-octanol 1793.93
    2-hexanone 5877.59
    octyl acetate 2343.57
    limonene 2775.95
    1,2-dimethoxyethane 7506.11
    ethyl orthosilicate 1781.56
    tributyl phosphate 1523.15
    diacetone alcohol 3003.32
    N,N-dimethylaniline 2439.95
    acrylonitrile 6037.52
    aniline 4034.02
    1,3-propanediol 2502.57
    bromobenzene 8975.76
    dibromomethane 17804.72
    1,1,2,2-tetrachloroethane 22057.53
    2-methyl-cyclohexyl acetate 2960.26
    tetrabutyl urea 1833.23
    diisobutyl methanol 1746.19
    2-phenylethanol 2454.15
    styrene 3853.42
    dioctyl adipate 2253.83
    dimethyl sulfate 2530.58
    ethyl butyrate 5806.57
    methyl lactate 1664.87
    butyl lactate 2491.27
    diethyl carbonate 3471.95
    propanediol butyl ether 1980.87
    triethyl orthoformate 3190.63
    p-tert-butyltoluene 1368.74
    methyl 4-tert-butylbenzoate 2233.59
    morpholine 9646.99
    tert-butylamine 4120.91
    n-dodecanol 1055.9
    dimethoxymethane 4930.22
    ethylene carbonate 5916.87
    cyrene 1390.29
    2-ethoxyethyl acetate 4356.83
    2-ethylhexyl acetate 5156.94
    1,2,4-trichlorobenzene 6376.98
    4-methylpyridine 9459.43
    dibutyl ether 5617.38
    2,6-dimethyl-4-heptanol 1746.19
    DEF 8054.59
    dimethyl isosorbide 2790.08
    tetrachloroethylene 15361.41
    eugenol 1929.35
    triacetin 3040.39
    span 80 1939.1
    1,4-butanediol 1089.0
    1,1-dichloroethane 17569.55
    2-methyl-1-pentanol 3230.75
    methyl formate 3251.21
    2-methyl-1-butanol 4848.4
    n-decane 894.27
    butyronitrile 9140.53
    3,7-dimethyl-1-octanol 2282.57
    1-chlorooctane 3069.34
    1-chlorotetradecane 1002.23
    n-nonane 1047.96
    undecane 567.79
    tert-butylcyclohexane 1258.22
    cyclooctane 1792.27
    cyclopentanol 4719.76
    tetrahydropyran 13399.44
    tert-amyl methyl ether 4229.86
    2,5,8-trioxanonane 3116.45
    1-hexene 6554.43
    2-isopropoxyethanol 2492.4
    2,2,2-trifluoroethanol 1913.76
    methyl butyrate 8645.44

    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