Acetaldehyde butyl phenethyl acetal

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  • Identifiers

    CAS number
    64577-91-9

    Molecular formula
    C14H22O2

    SMILES
    CCCCOC(C)OCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Green 93.93%
    Floral 64.79%
    Leafy 54.71%
    Hyacinth 53.23%
    Sweet 50.05%
    Herbal 49.16%
    Fresh 43.06%
    Earthy 41.98%
    Vegetable 41.94%
    Rose 40.27%

     

    Flavor
    Green 79.93%
    Floral 60.22%
    Earthy 48.25%
    Rose 46.83%
    Fruity 39.36%
    Bitter 35.0%
    Mushroom 34.18%
    Hyacinth 34.04%
    Sweet 30.54%
    Honey 29.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.85 (neutral)

    Molecular weight
    222.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 280.00 to 282.00 °C. @ 760.00 mm Hg

    Flash point

    • 112.48 ˚C est.

    Solubility expt.

    • Miscible in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • (2-(1-Butoxyethoxy)ethyl)benzene
    • 64577-91-9
    • Acetaldehyde butyl phenethyl acetal
    • 2-Butoxy-2-phenylethoxyethane
    • 2-(1-butoxyethoxy)ethylbenzene
    • [2-(1-Butoxyethoxy)ethyl]benzene
    • Acetaldehyde, butyl phenylethyl acetal
    • FEMA No. 3125
    • KZ6JI8OWWE
    • Benzene, (2-(1-butoxyethoxy)ethyl)-
    • EINECS 264-948-9
    • Benzene, [2-(1-butoxyethoxy)ethyl]-
    • DTXSID50867084
    • 1-Butoxy-1-(2-phenylethoxy)ethane
    • (+/-)-ACETALDEHYDE BUTYL PHENETHYL ACETAL
    • ACETALDEHYDE, BUTYL PHENETHYL ACETAL [FHFI]
    • ACETALDEHYDE BUTYL PHENETHYL ACETAL, (+/-)-
    • UNII-KZ6JI8OWWE
    • ACETALDEHYDE, BUTYL PHENETHYL ACETAL
    • SCHEMBL3506182
    • FEMA 3125
    • DTXCID80815295
    • CHEBI:174143
    • JBEADRDKGADTFN-UHFFFAOYSA-N
    • (2-(1-butoxyethoxy)ethyl)-Benzene
    • Benzene, 2-(1-butoxyethoxy)ethyl-
    • AKOS015891282
    • [2-(1-Butoxyethoxy)ethyl]benzene, 9CI
    • DB-335863
    • NS00053591
    • Q27282518
    • 264-948-9

  • Applications

    Acetaldehyde butyl phenethyl acetal (CAS 64577-91-9) is primarily used as a fragrance ingredient and fixative in perfumery and personal care formulations, contributing a warm floral aroma and helping to preserve scent longevity. It commonly serves as a scent-bearing intermediate in the synthesis of aroma chemicals, enabling the construction of characteristic fragrance notes. Beyond perfumes, the compound may be employed as a fragrance component in cosmetics and household care products, and can appear in fragrance formulations for cleaning products and surface coatings. In some industrial formulations it may also function as a solvent or co-solvent within fragrance blends, depending on formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2344.98
    methanol 1938.36
    isopropanol 1428.47
    water 0.55
    ethyl acetate 2741.45
    n-propanol 1863.17
    acetone 1958.16
    n-butanol 1784.02
    acetonitrile 2035.86
    DMF 729.2
    toluene 972.17
    isobutanol 1272.58
    1,4-dioxane 3755.79
    methyl acetate 1658.0
    THF 2751.52
    2-butanone 1658.0
    n-pentanol 1384.3
    sec-butanol 1536.25
    n-hexane 653.33
    ethylene glycol 179.13
    NMP 704.13
    cyclohexane 1349.98
    DMSO 2080.97
    n-butyl acetate 1842.5
    n-octanol 426.97
    chloroform 7064.24
    n-propyl acetate 1591.31
    acetic acid 1470.68
    dichloromethane 7626.05
    cyclohexanone 2417.42
    propylene glycol 283.16
    isopropyl acetate 1388.45
    DMAc 877.48
    2-ethoxyethanol 1366.49
    isopentanol 1306.06
    n-heptane 389.88
    ethyl formate 1013.11
    1,2-dichloroethane 4471.65
    n-hexanol 1281.56
    2-methoxyethanol 1443.05
    isobutyl acetate 858.42
    tetrachloromethane 967.67
    n-pentyl acetate 831.64
    transcutol 3856.01
    n-heptanol 389.97
    ethylbenzene 525.71
    MIBK 792.74
    2-propoxyethanol 1342.51
    tert-butanol 1507.05
    MTBE 1911.45
    2-butoxyethanol 627.12
    propionic acid 1053.45
    o-xylene 542.9
    formic acid 286.15
    diethyl ether 3813.1
    m-xylene 510.62
    p-xylene 660.87
    chlorobenzene 1315.61
    dimethyl carbonate 356.96
    n-octane 110.64
    formamide 410.99
    cyclopentanone 1447.16
    2-pentanone 1478.95
    anisole 862.24
    cyclopentyl methyl ether 1649.33
    gamma-butyrolactone 1603.53
    1-methoxy-2-propanol 971.62
    pyridine 2366.8
    3-pentanone 1265.82
    furfural 1247.66
    n-dodecane 70.49
    diethylene glycol 690.41
    diisopropyl ether 715.16
    tert-amyl alcohol 1213.8
    acetylacetone 1288.81
    n-hexadecane 81.59
    acetophenone 718.44
    methyl propionate 1234.8
    isopentyl acetate 1315.1
    trichloroethylene 5202.24
    n-nonanol 383.73
    cyclohexanol 1650.08
    benzyl alcohol 634.89
    2-ethylhexanol 779.1
    isooctanol 331.9
    dipropyl ether 1686.23
    1,2-dichlorobenzene 1131.26
    ethyl lactate 416.53
    propylene carbonate 1077.84
    n-methylformamide 496.82
    2-pentanol 1142.71
    n-pentane 501.87
    1-propoxy-2-propanol 1045.81
    1-methoxy-2-propyl acetate 1051.8
    2-(2-methoxypropoxy) propanol 578.34
    mesitylene 342.39
    ε-caprolactone 1998.45
    p-cymene 305.68
    epichlorohydrin 2684.02
    1,1,1-trichloroethane 2945.29
    2-aminoethanol 496.29
    morpholine-4-carbaldehyde 1163.75
    sulfolane 1560.73
    2,2,4-trimethylpentane 158.92
    2-methyltetrahydrofuran 2556.66
    n-hexyl acetate 978.49
    isooctane 109.79
    2-(2-butoxyethoxy)ethanol 862.15
    sec-butyl acetate 955.08
    tert-butyl acetate 1112.28
    decalin 319.04
    glycerin 322.35
    diglyme 1801.02
    acrylic acid 653.7
    isopropyl myristate 367.14
    n-butyric acid 1843.59
    acetyl acetate 1368.19
    di(2-ethylhexyl) phthalate 275.18
    ethyl propionate 1209.31
    nitromethane 1784.67
    1,2-diethoxyethane 2251.38
    benzonitrile 876.07
    trioctyl phosphate 205.49
    1-bromopropane 3120.91
    gamma-valerolactone 1781.61
    n-decanol 270.84
    triethyl phosphate 443.35
    4-methyl-2-pentanol 479.89
    propionitrile 1484.28
    vinylene carbonate 1000.71
    1,1,2-trichlorotrifluoroethane 1400.51
    DMS 674.31
    cumene 318.03
    2-octanol 277.9
    2-hexanone 1263.69
    octyl acetate 426.32
    limonene 568.02
    1,2-dimethoxyethane 2331.7
    ethyl orthosilicate 465.86
    tributyl phosphate 322.9
    diacetone alcohol 709.34
    N,N-dimethylaniline 486.24
    acrylonitrile 1162.31
    aniline 1008.48
    1,3-propanediol 781.71
    bromobenzene 1594.6
    dibromomethane 5372.5
    1,1,2,2-tetrachloroethane 4705.8
    2-methyl-cyclohexyl acetate 712.24
    tetrabutyl urea 377.66
    diisobutyl methanol 381.85
    2-phenylethanol 609.09
    styrene 750.98
    dioctyl adipate 515.52
    dimethyl sulfate 459.45
    ethyl butyrate 1340.11
    methyl lactate 334.99
    butyl lactate 483.2
    diethyl carbonate 829.15
    propanediol butyl ether 475.97
    triethyl orthoformate 836.79
    p-tert-butyltoluene 272.98
    methyl 4-tert-butylbenzoate 485.75
    morpholine 3741.02
    tert-butylamine 1132.85
    n-dodecanol 211.14
    dimethoxymethane 1062.98
    ethylene carbonate 1059.75
    cyrene 435.65
    2-ethoxyethyl acetate 982.74
    2-ethylhexyl acetate 1070.08
    1,2,4-trichlorobenzene 1179.47
    4-methylpyridine 1782.31
    dibutyl ether 1175.29
    2,6-dimethyl-4-heptanol 381.85
    DEF 1411.61
    dimethyl isosorbide 912.19
    tetrachloroethylene 3144.47
    eugenol 450.53
    triacetin 810.37
    span 80 547.16
    1,4-butanediol 388.78
    1,1-dichloroethane 3622.3
    2-methyl-1-pentanol 1026.02
    methyl formate 400.63
    2-methyl-1-butanol 1284.8
    n-decane 133.64
    butyronitrile 1732.9
    3,7-dimethyl-1-octanol 433.11
    1-chlorooctane 457.22
    1-chlorotetradecane 167.8
    n-nonane 145.84
    undecane 90.4
    tert-butylcyclohexane 235.76
    cyclooctane 298.92
    cyclopentanol 1033.38
    tetrahydropyran 4603.44
    tert-amyl methyl ether 1138.76
    2,5,8-trioxanonane 1114.73
    1-hexene 1666.19
    2-isopropoxyethanol 933.04
    2,2,2-trifluoroethanol 365.17
    methyl butyrate 1633.61

    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