Hydroxycitronellal diethyl acetal

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  • Identifiers

    CAS number
    7779-94-4

    Molecular formula
    C14H30O3

    SMILES
    CCOC(CC(C)CCCC(C)(C)O)OCC

  • Odor profile

    Fragrance
    Floral 89.42%
    Green 83.97%
    Lily 60.02%
    Muguet 55.12%
    Rose 48.67%
    Fresh 48.25%
    Sweet 38.78%
    Citrus 34.94%
    Leafy 31.74%
    Lemon 27.7%

     

    Flavor
    Green 77.32%
    Fruity 47.26%
    Floral 46.19%
    Waxy 45.2%
    Tropical 40.05%
    Oily 35.56%
    Lily 33.18%
    Earthy 33.15%
    Mild 30.62%
    Clean 27.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.18 (weak base)

    Molecular weight
    246.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 135.00 °C. @ 3.00 mm Hg

    Flash point

    • 108.56 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in alcohol and oil

  • Synonyms

    • Hydroxycitronellal diethyl acetal
    • 7779-94-4
    • 8,8-Diethoxy-2,6-dimethyloctan-2-ol
    • 8,8-Diethoxy-2,6-dimethyl-2-octanol
    • 2-Octanol, 8,8-diethoxy-2,6-dimethyl-
    • FEMA No. 2584
    • 1,1-Diethoxy-3,7-dimethyl-7-octanol
    • UNII-F82P1A3CIM
    • F82P1A3CIM
    • 7-Hydroxy-3,7-dimethyloctanal diethyl acetal
    • EINECS 231-945-9
    • Octanal, 7-hydroxy-3,7-dimethyl-, diethyl acetal
    • Hydroxy citronellal diethyl acetal
    • DTXSID00864124
    • 1,1-DIETHOXY-3,7-DIMETHYLOCTAN-7-OL
    • (+/-)-HYDROXYCITRONELLAL DIETHYL ACETAL
    • HYDROXYCITRONELLAL DIETHYL ACETAL [FHFI]
    • HYDROXYCITRONELLAL DIETHYL ACETAL, (+/-)-
    • SCHEMBL873365
    • FEMA 2584
    • DTXCID30812673
    • CHEBI:165845
    • XOJDKWNFMFCXNE-UHFFFAOYSA-N
    • 1,1-Diethoxy-7-hydroxy-3,7-dimethyloctan
    • DB-282099
    • NS00043985
    • 8,8-Diethoxy-2,6-dimethyl-2-octanol, 9CI
    • Q27277790

  • Applications

    Hydroxycitronellal diethyl acetal (CAS 7779-94-4) is primarily considered a fragrance ingredient and a synthetic intermediate in the perfumery and cosmetic industries. In practice, it is commonly used as a fragrance note or as a fixative to extend scent longevity in perfume formulations, cosmetics, and personal-care products; it also serves as a precursor to other fragrance compounds. As a masked aldehyde, it can help stabilize and modulate the release of aroma and may hydrolyze to release hydroxycitronellal under appropriate formulation conditions. Additionally, it can function as an industrial intermediate in the synthesis of further fragrance compounds and may be evaluated for use in cleaning or household fragrance products depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4403.15
    methanol 5397.01
    isopropanol 3808.61
    water 8.13
    ethyl acetate 1511.93
    n-propanol 3162.82
    acetone 1678.51
    n-butanol 2714.1
    acetonitrile 948.39
    DMF 1202.02
    toluene 649.04
    isobutanol 2473.19
    1,4-dioxane 3420.03
    methyl acetate 1057.23
    THF 4072.68
    2-butanone 1226.78
    n-pentanol 1935.42
    sec-butanol 2779.49
    n-hexane 724.07
    ethylene glycol 498.39
    NMP 1157.52
    cyclohexane 1251.99
    DMSO 1608.81
    n-butyl acetate 1344.52
    n-octanol 1307.49
    chloroform 3931.47
    n-propyl acetate 1192.43
    acetic acid 2171.49
    dichloromethane 2575.22
    cyclohexanone 2319.49
    propylene glycol 1131.51
    isopropyl acetate 1126.51
    DMAc 1180.38
    2-ethoxyethanol 1852.06
    isopentanol 2002.61
    n-heptane 610.62
    ethyl formate 1041.1
    1,2-dichloroethane 1235.67
    n-hexanol 2215.93
    2-methoxyethanol 2656.63
    isobutyl acetate 918.93
    tetrachloromethane 720.62
    n-pentyl acetate 1051.16
    transcutol 3554.59
    n-heptanol 1023.78
    ethylbenzene 468.57
    MIBK 768.97
    2-propoxyethanol 2086.88
    tert-butanol 3910.3
    MTBE 2136.66
    2-butoxyethanol 1326.8
    propionic acid 1511.31
    o-xylene 469.73
    formic acid 621.77
    diethyl ether 1776.38
    m-xylene 462.5
    p-xylene 723.37
    chlorobenzene 730.59
    dimethyl carbonate 269.28
    n-octane 239.54
    formamide 500.25
    cyclopentanone 1630.57
    2-pentanone 1091.91
    anisole 669.31
    cyclopentyl methyl ether 1696.39
    gamma-butyrolactone 1650.65
    1-methoxy-2-propanol 2036.6
    pyridine 1330.7
    3-pentanone 752.13
    furfural 1153.96
    n-dodecane 151.74
    diethylene glycol 1147.2
    diisopropyl ether 622.28
    tert-amyl alcohol 2676.84
    acetylacetone 1007.99
    n-hexadecane 168.59
    acetophenone 607.98
    methyl propionate 793.8
    isopentyl acetate 1190.57
    trichloroethylene 1978.98
    n-nonanol 1070.36
    cyclohexanol 2720.66
    benzyl alcohol 758.55
    2-ethylhexanol 1194.92
    isooctanol 786.12
    dipropyl ether 1315.18
    1,2-dichlorobenzene 617.16
    ethyl lactate 565.17
    propylene carbonate 1167.59
    n-methylformamide 768.63
    2-pentanol 1794.57
    n-pentane 555.09
    1-propoxy-2-propanol 1713.84
    1-methoxy-2-propyl acetate 1009.1
    2-(2-methoxypropoxy) propanol 861.73
    mesitylene 342.62
    ε-caprolactone 1990.92
    p-cymene 360.5
    epichlorohydrin 1671.17
    1,1,1-trichloroethane 1505.09
    2-aminoethanol 1288.61
    morpholine-4-carbaldehyde 1674.19
    sulfolane 1562.21
    2,2,4-trimethylpentane 243.97
    2-methyltetrahydrofuran 2794.29
    n-hexyl acetate 1620.78
    isooctane 190.23
    2-(2-butoxyethoxy)ethanol 1446.34
    sec-butyl acetate 800.89
    tert-butyl acetate 1113.01
    decalin 358.25
    glycerin 985.35
    diglyme 2231.21
    acrylic acid 821.81
    isopropyl myristate 564.94
    n-butyric acid 2438.7
    acetyl acetate 878.89
    di(2-ethylhexyl) phthalate 434.18
    ethyl propionate 807.32
    nitromethane 1520.43
    1,2-diethoxyethane 1323.46
    benzonitrile 832.81
    trioctyl phosphate 409.77
    1-bromopropane 1266.61
    gamma-valerolactone 2350.96
    n-decanol 719.65
    triethyl phosphate 401.27
    4-methyl-2-pentanol 908.8
    propionitrile 1029.88
    vinylene carbonate 988.74
    1,1,2-trichlorotrifluoroethane 1453.04
    DMS 628.33
    cumene 358.36
    2-octanol 887.86
    2-hexanone 1106.72
    octyl acetate 734.95
    limonene 656.16
    1,2-dimethoxyethane 2681.15
    ethyl orthosilicate 448.27
    tributyl phosphate 486.15
    diacetone alcohol 1160.31
    N,N-dimethylaniline 478.64
    acrylonitrile 784.06
    aniline 783.29
    1,3-propanediol 1962.77
    bromobenzene 755.79
    dibromomethane 2004.75
    1,1,2,2-tetrachloroethane 1979.86
    2-methyl-cyclohexyl acetate 788.66
    tetrabutyl urea 570.38
    diisobutyl methanol 578.93
    2-phenylethanol 769.75
    styrene 533.48
    dioctyl adipate 707.51
    dimethyl sulfate 351.32
    ethyl butyrate 949.16
    methyl lactate 535.46
    butyl lactate 834.99
    diethyl carbonate 572.63
    propanediol butyl ether 1422.09
    triethyl orthoformate 793.52
    p-tert-butyltoluene 371.4
    methyl 4-tert-butylbenzoate 673.88
    morpholine 3758.12
    tert-butylamine 2507.69
    n-dodecanol 528.23
    dimethoxymethane 1084.36
    ethylene carbonate 1063.77
    cyrene 638.1
    2-ethoxyethyl acetate 935.32
    2-ethylhexyl acetate 977.82
    1,2,4-trichlorobenzene 729.54
    4-methylpyridine 1365.4
    dibutyl ether 1403.28
    2,6-dimethyl-4-heptanol 578.93
    DEF 1077.62
    dimethyl isosorbide 1135.67
    tetrachloroethylene 1366.14
    eugenol 592.59
    triacetin 1070.27
    span 80 1152.16
    1,4-butanediol 929.46
    1,1-dichloroethane 1695.84
    2-methyl-1-pentanol 1390.83
    methyl formate 560.32
    2-methyl-1-butanol 1799.77
    n-decane 305.26
    butyronitrile 1485.92
    3,7-dimethyl-1-octanol 968.88
    1-chlorooctane 755.94
    1-chlorotetradecane 270.18
    n-nonane 348.65
    undecane 199.57
    tert-butylcyclohexane 342.34
    cyclooctane 355.59
    cyclopentanol 2448.21
    tetrahydropyran 4086.59
    tert-amyl methyl ether 1314.54
    2,5,8-trioxanonane 1348.56
    1-hexene 1297.32
    2-isopropoxyethanol 1264.4
    2,2,2-trifluoroethanol 484.39
    methyl butyrate 1173.0

    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