Acetaldehyde hexyl isoamyl acetal

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  • Identifiers

    CAS number
    233665-90-2

    Molecular formula
    C13H28O2

    SMILES
    CCCCCCOC(C)OCCC(C)C

  • Odor profile

    Fragrance
    Green 97.99%
    Cognac 71.47%
    Alcoholic 68.8%
    Ethereal 60.93%
    Vegetable 55.6%
    Apple 55.59%
    Fermented 49.33%
    Oily 42.46%
    Fruity 41.86%
    Sweet 38.1%

     

    Flavor
    Green 69.2%
    Fruity 67.84%
    Tropical 34.25%
    Herbal 33.26%
    Mushroom 31.47%
    Earthy 31.4%
    Floral 30.41%
    Oily 29.38%
    Waxy 28.88%
    Fatty 28.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.56 (neutral)

    Molecular weight
    216.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 82.00 °C. @ 26.00 mm Hg

    Flash point

    • 87.99 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • Acetaldehyde hexyl isoamyl acetal
    • 233665-90-2
    • FEMA No. 4365
    • 1-Hexoxy-1-(3-methylbutoxy)ethane
    • L3RBE1989V
    • 1-Hexyloxy-1-(3-methylbutyl)oxypropane
    • 1-Hexyloxy-1-isopentyl oxyethane
    • Hexane, 1-(1-(3-methylbutoxy)ethoxy)-
    • UNII-L3RBE1989V
    • 1-[1-(3-methylbutoxy)ethoxy]hexane
    • Acetaldehyde hexyl isoamyl acetal [FIFH]
    • 1-[1-(HEXYLOXY)ETHOXY]-3-METHYLBUTANE
    • ACETALDEHYDE HEXYL ISOAMYL ACETAL [FHFI]
    • 1-(1-(3-Methylbutoxy)ethoxy)hexane
    • 1-(1-(hexyloxy)ethoxy)-3-methylbutane
    • Acetaldehyde hexyl isoamyl acetal (FIFH)
    • SCHEMBL20269226
    • DTXSID60946036
    • CHEBI:173623
    • PUXHYFFHRDAFHP-UHFFFAOYSA-N
    • 1-[1-(3-Methylbutoxy)ethoxy]-Hexane
    • 1- HEXYLOXY-1-ISOPENTYL OXYETHANE
    • NS00124522
    • Q27282663

  • Applications

    Acetaldehyde hexyl isoamyl acetal, CAS 233665-90-2, is primarily used as an intermediate in the synthesis of specialty chemicals and as a solvent or co-solvent in industrial formulations. In perfumery and cosmetics, it can serve as a fragrance ingredient or a fixative to help extend scent in fragrances and personal care products. In household and cleaning formulations, it is commonly used as a solvent or solvent additive for consumer products. In coatings, inks, and polymers, it may act as a precursor for polymerization or as part of acetals-based systems to improve material processing and stability. Actual applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8495.56
    methanol 5505.64
    isopropanol 8131.18
    water 0.49
    ethyl acetate 9026.09
    n-propanol 7359.86
    acetone 8522.48
    n-butanol 7894.84
    acetonitrile 4710.84
    DMF 2884.54
    toluene 2980.04
    isobutanol 6286.42
    1,4-dioxane 9923.48
    methyl acetate 4970.43
    THF 12318.44
    2-butanone 6505.73
    n-pentanol 5755.26
    sec-butanol 8073.27
    n-hexane 6271.51
    ethylene glycol 402.96
    NMP 3353.21
    cyclohexane 9555.43
    DMSO 5072.55
    n-butyl acetate 9742.76
    n-octanol 3096.7
    chloroform 14724.15
    n-propyl acetate 6341.91
    acetic acid 4545.43
    dichloromethane 12374.66
    cyclohexanone 11135.1
    propylene glycol 984.19
    isopropyl acetate 6577.05
    DMAc 2907.39
    2-ethoxyethanol 3939.15
    isopentanol 7623.14
    n-heptane 4365.79
    ethyl formate 3505.26
    1,2-dichloroethane 8018.08
    n-hexanol 6985.04
    2-methoxyethanol 4940.19
    isobutyl acetate 3747.3
    tetrachloromethane 3473.32
    n-pentyl acetate 5337.79
    transcutol 11409.71
    n-heptanol 2827.28
    ethylbenzene 1935.0
    MIBK 4131.68
    2-propoxyethanol 5514.57
    tert-butanol 10025.02
    MTBE 10567.25
    2-butoxyethanol 3253.35
    propionic acid 3752.35
    o-xylene 2045.49
    formic acid 603.81
    diethyl ether 12027.18
    m-xylene 1999.21
    p-xylene 2827.58
    chlorobenzene 3709.44
    dimethyl carbonate 778.81
    n-octane 1193.02
    formamide 788.97
    cyclopentanone 6576.0
    2-pentanone 6582.56
    anisole 2416.13
    cyclopentyl methyl ether 7918.44
    gamma-butyrolactone 5885.35
    1-methoxy-2-propanol 4327.78
    pyridine 5909.99
    3-pentanone 4431.68
    furfural 3802.13
    n-dodecane 560.94
    diethylene glycol 1951.62
    diisopropyl ether 4310.37
    tert-amyl alcohol 9008.31
    acetylacetone 5218.47
    n-hexadecane 654.98
    acetophenone 2228.56
    methyl propionate 3760.74
    isopentyl acetate 7741.11
    trichloroethylene 10681.01
    n-nonanol 2572.42
    cyclohexanol 9388.79
    benzyl alcohol 1919.44
    2-ethylhexanol 5505.71
    isooctanol 2430.33
    dipropyl ether 8903.72
    1,2-dichlorobenzene 3121.9
    ethyl lactate 1489.6
    propylene carbonate 4003.19
    n-methylformamide 1617.03
    2-pentanol 6858.8
    n-pentane 4055.2
    1-propoxy-2-propanol 5815.37
    1-methoxy-2-propyl acetate 4550.52
    2-(2-methoxypropoxy) propanol 2004.5
    mesitylene 1471.88
    ε-caprolactone 9100.62
    p-cymene 1655.93
    epichlorohydrin 7358.36
    1,1,1-trichloroethane 9796.59
    2-aminoethanol 1333.05
    morpholine-4-carbaldehyde 4026.49
    sulfolane 5571.45
    2,2,4-trimethylpentane 1346.17
    2-methyltetrahydrofuran 12632.35
    n-hexyl acetate 6574.68
    isooctane 1029.58
    2-(2-butoxyethoxy)ethanol 3325.87
    sec-butyl acetate 4634.81
    tert-butyl acetate 6110.15
    decalin 2106.22
    glycerin 906.9
    diglyme 6267.5
    acrylic acid 1946.04
    isopropyl myristate 1995.98
    n-butyric acid 8699.63
    acetyl acetate 4348.5
    di(2-ethylhexyl) phthalate 1108.09
    ethyl propionate 4659.05
    nitromethane 4890.19
    1,2-diethoxyethane 7776.77
    benzonitrile 3132.03
    trioctyl phosphate 1077.83
    1-bromopropane 8923.91
    gamma-valerolactone 7599.23
    n-decanol 1694.05
    triethyl phosphate 1690.46
    4-methyl-2-pentanol 3440.04
    propionitrile 4276.68
    vinylene carbonate 3069.31
    1,1,2-trichlorotrifluoroethane 4275.03
    DMS 2229.82
    cumene 1359.3
    2-octanol 2440.22
    2-hexanone 5672.44
    octyl acetate 2318.97
    limonene 3643.87
    1,2-dimethoxyethane 7808.99
    ethyl orthosilicate 2000.95
    tributyl phosphate 1549.54
    diacetone alcohol 3980.65
    N,N-dimethylaniline 1567.38
    acrylonitrile 3109.08
    aniline 2939.53
    1,3-propanediol 2878.56
    bromobenzene 4332.79
    dibromomethane 10901.96
    1,1,2,2-tetrachloroethane 10255.32
    2-methyl-cyclohexyl acetate 3416.56
    tetrabutyl urea 1736.25
    diisobutyl methanol 2831.25
    2-phenylethanol 2207.07
    styrene 2354.26
    dioctyl adipate 2244.78
    dimethyl sulfate 1043.75
    ethyl butyrate 6489.03
    methyl lactate 1121.47
    butyl lactate 2750.2
    diethyl carbonate 3057.34
    propanediol butyl ether 2384.25
    triethyl orthoformate 4167.39
    p-tert-butyltoluene 1586.74
    methyl 4-tert-butylbenzoate 1832.03
    morpholine 11811.97
    tert-butylamine 8326.35
    n-dodecanol 1271.28
    dimethoxymethane 2897.89
    ethylene carbonate 3625.01
    cyrene 1310.02
    2-ethoxyethyl acetate 4310.54
    2-ethylhexyl acetate 6241.82
    1,2,4-trichlorobenzene 3295.09
    4-methylpyridine 6274.9
    dibutyl ether 7796.17
    2,6-dimethyl-4-heptanol 2831.25
    DEF 5307.3
    dimethyl isosorbide 3100.48
    tetrachloroethylene 7089.44
    eugenol 1503.4
    triacetin 3182.38
    span 80 2554.49
    1,4-butanediol 1166.29
    1,1-dichloroethane 9948.19
    2-methyl-1-pentanol 4941.79
    methyl formate 1165.31
    2-methyl-1-butanol 6532.53
    n-decane 1183.86
    butyronitrile 6739.32
    3,7-dimethyl-1-octanol 3273.04
    1-chlorooctane 3034.51
    1-chlorotetradecane 1002.86
    n-nonane 1436.35
    undecane 761.71
    tert-butylcyclohexane 1786.27
    cyclooctane 2333.76
    cyclopentanol 6393.75
    tetrahydropyran 17712.11
    tert-amyl methyl ether 6431.85
    2,5,8-trioxanonane 3142.98
    1-hexene 9863.66
    2-isopropoxyethanol 3406.67
    2,2,2-trifluoroethanol 998.52
    methyl butyrate 6616.62

    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