Hexanal octane-1,3-diol acetal

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  • Identifiers

    CAS number
    202188-46-3

    Molecular formula
    C14H28O2

    SMILES
    CCCCCC1CCOC(O1)CCCCC

  • Odor profile

    Fragrance
    Green 84.17%
    Fatty 60.35%
    Fruity 46.92%
    Fresh 43.95%
    Floral 41.11%
    Herbal 39.78%
    Oily 37.63%
    Citrus 37.57%
    Sweet 36.49%
    Waxy 33.57%

     

    Flavor
    Green 53.44%
    Fatty 50.01%
    Fruity 48.3%
    Sweet 42.22%
    Waxy 41.77%
    Oily 38.3%
    Creamy 36.8%
    Fresh 35.47%
    Peach 35.31%
    Metallic 34.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.16 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point

    • 109.15 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Hexanal octane-1,3-diol acetal
    • 2,4-dipentyl-1,3-dioxane
    • FEMA No. 4377
    • UNII-8K24ODV341
    • Aldehyde C-6 octane-1,3-diol acetal
    • (+/-)-Hexanal octane-1,3-diol acetal
    • 8K24ODV341
    • Hexanal octane-1,3-diol acetal, (+/-)-
    • 202188-46-3
    • Hexanal octane-1,3-diol acetal [FIFH]
    • DTXSID10942301
    • HEXANAL 1,3-OCTANEDIOL ACETAL
    • HEXANAL OCTANE-1,3-DIOL ACETAL [FHFI]
    • Hexanal octane-1,3-diol acetal (FIFH)
    • SCHEMBL2997425
    • CHEBI:179777
    • DTXCID901370708
    • (4S,6R)-4-hexyl-2,6-dimethyl-1,3-dioxane
    • Q27270655

  • Applications

    Hexanal octane-1,3-diol acetal (CAS 202188-46-3) is typically viewed as a synthetic intermediate and may serve as an odorant or fragrance component in the fragrance field; it may also be used in cosmetics and personal care as a fragrance ingredient and for scent stability. In coatings and inks, it can participate as a functional component within resin systems or as a reactive diol for polymer synthesis. The acetal functionality also positions it as a building block for polymer synthesis and plastic material processing, and it may be used as an intermediate in industrial manufacturing for chemical formulas or materials manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6769.11
    methanol 4277.18
    isopropanol 6392.05
    water 0.14
    ethyl acetate 12070.26
    n-propanol 6103.45
    acetone 11069.82
    n-butanol 6755.66
    acetonitrile 6166.72
    DMF 4285.44
    toluene 4287.96
    isobutanol 5146.01
    1,4-dioxane 10322.14
    methyl acetate 6191.71
    THF 13022.79
    2-butanone 7880.45
    n-pentanol 4068.71
    sec-butanol 6017.44
    n-hexane 3831.58
    ethylene glycol 288.76
    NMP 4190.67
    cyclohexane 7663.71
    DMSO 6698.99
    n-butyl acetate 11405.88
    n-octanol 2220.09
    chloroform 16682.42
    n-propyl acetate 7523.63
    acetic acid 3995.79
    dichloromethane 16587.65
    cyclohexanone 12933.26
    propylene glycol 608.63
    isopropyl acetate 8830.93
    DMAc 3636.66
    2-ethoxyethanol 3385.17
    isopentanol 6489.12
    n-heptane 2370.35
    ethyl formate 4191.2
    1,2-dichloroethane 11692.06
    n-hexanol 5144.29
    2-methoxyethanol 4717.9
    isobutyl acetate 4384.84
    tetrachloromethane 3686.03
    n-pentyl acetate 6145.23
    transcutol 11678.62
    n-heptanol 2061.96
    ethylbenzene 2090.53
    MIBK 5185.67
    2-propoxyethanol 5012.67
    tert-butanol 7599.65
    MTBE 10472.76
    2-butoxyethanol 2893.31
    propionic acid 3406.51
    o-xylene 2296.8
    formic acid 476.92
    diethyl ether 13940.33
    m-xylene 2442.7
    p-xylene 2696.13
    chlorobenzene 5282.73
    dimethyl carbonate 1322.29
    n-octane 719.58
    formamide 785.11
    cyclopentanone 9101.68
    2-pentanone 8854.15
    anisole 2874.61
    cyclopentyl methyl ether 8873.48
    gamma-butyrolactone 8105.01
    1-methoxy-2-propanol 4357.89
    pyridine 8525.06
    3-pentanone 5935.19
    furfural 5021.62
    n-dodecane 393.34
    diethylene glycol 1775.28
    diisopropyl ether 4565.81
    tert-amyl alcohol 6077.28
    acetylacetone 7256.87
    n-hexadecane 477.68
    acetophenone 2748.45
    methyl propionate 5389.83
    isopentyl acetate 8612.19
    trichloroethylene 15131.87
    n-nonanol 1916.42
    cyclohexanol 7827.84
    benzyl alcohol 1961.14
    2-ethylhexanol 3956.37
    isooctanol 1918.11
    dipropyl ether 7872.07
    1,2-dichlorobenzene 4401.67
    ethyl lactate 1391.65
    propylene carbonate 5179.53
    n-methylformamide 2099.94
    2-pentanol 5620.48
    n-pentane 3116.66
    1-propoxy-2-propanol 5046.92
    1-methoxy-2-propyl acetate 5332.42
    2-(2-methoxypropoxy) propanol 1949.97
    mesitylene 1747.59
    ε-caprolactone 10215.9
    p-cymene 1605.93
    epichlorohydrin 9782.45
    1,1,1-trichloroethane 11481.72
    2-aminoethanol 998.29
    morpholine-4-carbaldehyde 4644.01
    sulfolane 7098.26
    2,2,4-trimethylpentane 941.25
    2-methyltetrahydrofuran 13025.07
    n-hexyl acetate 6441.95
    isooctane 815.8
    2-(2-butoxyethoxy)ethanol 3075.02
    sec-butyl acetate 5277.32
    tert-butyl acetate 7332.82
    decalin 1615.11
    glycerin 657.85
    diglyme 6443.2
    acrylic acid 2010.18
    isopropyl myristate 2060.58
    n-butyric acid 8858.57
    acetyl acetate 6006.3
    di(2-ethylhexyl) phthalate 1160.92
    ethyl propionate 5771.81
    nitromethane 5930.1
    1,2-diethoxyethane 9258.09
    benzonitrile 3820.39
    trioctyl phosphate 1016.03
    1-bromopropane 10773.57
    gamma-valerolactone 9360.72
    n-decanol 1274.11
    triethyl phosphate 1708.2
    4-methyl-2-pentanol 2925.32
    propionitrile 5513.64
    vinylene carbonate 3999.81
    1,1,2-trichlorotrifluoroethane 4642.82
    DMS 2808.6
    cumene 1358.65
    2-octanol 1759.24
    2-hexanone 6003.69
    octyl acetate 2322.0
    limonene 3206.3
    1,2-dimethoxyethane 8150.56
    ethyl orthosilicate 1877.86
    tributyl phosphate 1509.66
    diacetone alcohol 4162.03
    N,N-dimethylaniline 1798.45
    acrylonitrile 4197.51
    aniline 3744.85
    1,3-propanediol 2400.8
    bromobenzene 6547.0
    dibromomethane 13306.86
    1,1,2,2-tetrachloroethane 12360.54
    2-methyl-cyclohexyl acetate 3203.83
    tetrabutyl urea 1792.49
    diisobutyl methanol 2258.0
    2-phenylethanol 2254.08
    styrene 2823.62
    dioctyl adipate 2412.69
    dimethyl sulfate 1638.28
    ethyl butyrate 7293.39
    methyl lactate 1333.7
    butyl lactate 2724.53
    diethyl carbonate 3340.92
    propanediol butyl ether 1941.59
    triethyl orthoformate 4072.91
    p-tert-butyltoluene 1482.68
    methyl 4-tert-butylbenzoate 2084.83
    morpholine 11644.24
    tert-butylamine 6230.99
    n-dodecanol 957.72
    dimethoxymethane 4561.08
    ethylene carbonate 4824.64
    cyrene 1226.99
    2-ethoxyethyl acetate 5408.13
    2-ethylhexyl acetate 6668.27
    1,2,4-trichlorobenzene 4424.93
    4-methylpyridine 8124.9
    dibutyl ether 6984.43
    2,6-dimethyl-4-heptanol 2258.0
    DEF 7153.31
    dimethyl isosorbide 3169.11
    tetrachloroethylene 8412.68
    eugenol 1578.48
    triacetin 3412.09
    span 80 2187.06
    1,4-butanediol 871.8
    1,1-dichloroethane 12417.27
    2-methyl-1-pentanol 3630.66
    methyl formate 1530.85
    2-methyl-1-butanol 5388.19
    n-decane 782.7
    butyronitrile 8034.57
    3,7-dimethyl-1-octanol 2558.09
    1-chlorooctane 2666.28
    1-chlorotetradecane 875.79
    n-nonane 874.74
    undecane 518.96
    tert-butylcyclohexane 1253.92
    cyclooctane 1830.27
    cyclopentanol 5688.59
    tetrahydropyran 18378.16
    tert-amyl methyl ether 6025.91
    2,5,8-trioxanonane 3213.85
    1-hexene 7621.57
    2-isopropoxyethanol 2906.23
    2,2,2-trifluoroethanol 954.67
    methyl butyrate 8366.0

    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