Acetaldehyde 1,3-octanediol acetal

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  • Identifiers

    CAS number
    202188-43-0

    Molecular formula
    C10H20O2

    SMILES
    CCCCCC1CCOC(O1)C

  • Odor profile

    Fragrance
    Green 82.22%
    Fatty 51.12%
    Fruity 47.67%
    Floral 45.28%
    Fresh 44.4%
    Herbal 37.65%
    Citrus 37.4%
    Sweet 36.74%
    Waxy 31.07%
    Ethereal 29.19%

     

    Flavor
    Green 64.52%
    Sweet 48.7%
    Fruity 44.03%
    Fatty 39.71%
    Tropical 38.16%
    Vegetable 35.74%
    Fruit 33.73%
    Metallic 33.69%
    Peach 33.28%
    Earthy 33.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.84 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 219.00 to 220.00 °C. @ 760.00 mm Hg

    Flash point

    • 68.24 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 2-methyl-4-pentyl-1,3-dioxane
    • Acetaldehyde 1,3-octanediol acetal
    • FEMA No. 4376
    • UNII-V0W9UH6J00
    • 1,3-Dioxane, 2-methyl-4-pentyl-
    • V0W9UH6J00
    • (+/-)-Acetaldehyde 1,3-octanediol acetal
    • 202188-43-0
    • Acetaldehyde 1,3-octanediol acetal, (+/-)-
    • Acetaldehyde 1,3-octanediol acetal [FIFH]
    • DTXSID50942300
    • ACETALDEHYDE 1,3-OCTANEDIOL ACETAL [FHFI]
    • Acetaldehyde 1,3-octanediol acetal (FIFH)
    • SCHEMBL7678940
    • 2-methyl 4-pentyl-1,3-dioxan
    • DTXCID10855381
    • CHEBI:179547
    • acetaldehyde 1,3-octane diol acetal
    • Q27291384
    • 606-465-1

  • Applications

    Acetaldehyde 1,3-octanediol acetal (CAS 202188-43-0) is primarily used as a protected form of acetaldehyde in organic synthesis, enabling aldehyde handling in multi-step routes. In industrial manufacturing, it serves as a reactive intermediate and a diol-derived crosslinking component in specialty polymers and coatings, contributing to moisture resistance and cure performance. It is also used as a component in adhesive formulations, functioning as a crosslinker or functional linker in resin systems. In fragrance chemistry, acetals are evaluated as odor-active intermediates, and this compound may be used as a fragrance intermediate or odorant in formulation work under appropriate controls. Additionally, it may be considered as a solvent or co-solvent in niche formulations, depending on regulatory and compatibility constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5359.26
    methanol 4517.73
    isopropanol 3802.3
    water 0.76
    ethyl acetate 3862.05
    n-propanol 3893.19
    acetone 3742.58
    n-butanol 3710.25
    acetonitrile 2915.44
    DMF 1654.12
    toluene 1507.76
    isobutanol 2669.82
    1,4-dioxane 5058.69
    methyl acetate 2445.12
    THF 5553.18
    2-butanone 2723.15
    n-pentanol 2284.81
    sec-butanol 2960.15
    n-hexane 1047.14
    ethylene glycol 489.2
    NMP 1444.22
    cyclohexane 1699.97
    DMSO 3272.11
    n-butyl acetate 3160.49
    n-octanol 832.51
    chloroform 8110.79
    n-propyl acetate 1931.73
    acetic acid 2926.29
    dichloromethane 6877.31
    cyclohexanone 3881.41
    propylene glycol 772.33
    isopropyl acetate 2298.89
    DMAc 1251.72
    2-ethoxyethanol 2054.59
    isopentanol 2944.99
    n-heptane 543.34
    ethyl formate 1608.92
    1,2-dichloroethane 3811.19
    n-hexanol 2819.83
    2-methoxyethanol 3059.19
    isobutyl acetate 1125.38
    tetrachloromethane 1405.31
    n-pentyl acetate 1481.92
    transcutol 5814.03
    n-heptanol 779.3
    ethylbenzene 559.9
    MIBK 1391.44
    2-propoxyethanol 2847.31
    tert-butanol 3872.64
    MTBE 3552.25
    2-butoxyethanol 1133.47
    propionic acid 2118.58
    o-xylene 700.35
    formic acid 637.84
    diethyl ether 5142.12
    m-xylene 812.4
    p-xylene 730.65
    chlorobenzene 1860.5
    dimethyl carbonate 457.57
    n-octane 157.45
    formamide 715.91
    cyclopentanone 2815.91
    2-pentanone 2582.6
    anisole 998.71
    cyclopentyl methyl ether 3040.53
    gamma-butyrolactone 2894.82
    1-methoxy-2-propanol 2338.5
    pyridine 3514.52
    3-pentanone 1651.09
    furfural 2059.74
    n-dodecane 106.28
    diethylene glycol 1443.22
    diisopropyl ether 1194.82
    tert-amyl alcohol 2689.21
    acetylacetone 2086.46
    n-hexadecane 123.84
    acetophenone 797.38
    methyl propionate 1821.56
    isopentyl acetate 2168.11
    trichloroethylene 5627.06
    n-nonanol 697.57
    cyclohexanol 3125.56
    benzyl alcohol 896.52
    2-ethylhexanol 1443.93
    isooctanol 614.9
    dipropyl ether 2169.83
    1,2-dichlorobenzene 1364.09
    ethyl lactate 526.33
    propylene carbonate 1749.79
    n-methylformamide 1163.64
    2-pentanol 2469.41
    n-pentane 942.54
    1-propoxy-2-propanol 2115.99
    1-methoxy-2-propyl acetate 1748.2
    2-(2-methoxypropoxy) propanol 885.4
    mesitylene 512.5
    ε-caprolactone 3288.1
    p-cymene 438.39
    epichlorohydrin 3587.4
    1,1,1-trichloroethane 3695.36
    2-aminoethanol 1236.73
    morpholine-4-carbaldehyde 1959.37
    sulfolane 2563.87
    2,2,4-trimethylpentane 275.86
    2-methyltetrahydrofuran 4988.99
    n-hexyl acetate 1724.6
    isooctane 212.9
    2-(2-butoxyethoxy)ethanol 1386.66
    sec-butyl acetate 1237.01
    tert-butyl acetate 1855.78
    decalin 383.71
    glycerin 769.89
    diglyme 2393.76
    acrylic acid 1330.18
    isopropyl myristate 548.81
    n-butyric acid 3851.78
    acetyl acetate 2052.63
    di(2-ethylhexyl) phthalate 424.05
    ethyl propionate 1399.83
    nitromethane 2820.01
    1,2-diethoxyethane 3106.18
    benzonitrile 1479.93
    trioctyl phosphate 319.65
    1-bromopropane 3626.46
    gamma-valerolactone 3206.23
    n-decanol 476.66
    triethyl phosphate 460.4
    4-methyl-2-pentanol 1085.58
    propionitrile 2713.52
    vinylene carbonate 1513.45
    1,1,2-trichlorotrifluoroethane 2205.43
    DMS 857.66
    cumene 364.04
    2-octanol 557.03
    2-hexanone 1717.3
    octyl acetate 655.55
    limonene 845.21
    1,2-dimethoxyethane 3300.39
    ethyl orthosilicate 502.27
    tributyl phosphate 471.82
    diacetone alcohol 1357.77
    N,N-dimethylaniline 560.3
    acrylonitrile 2212.85
    aniline 1790.5
    1,3-propanediol 1917.84
    bromobenzene 2142.37
    dibromomethane 5138.57
    1,1,2,2-tetrachloroethane 4603.19
    2-methyl-cyclohexyl acetate 873.54
    tetrabutyl urea 518.09
    diisobutyl methanol 664.49
    2-phenylethanol 1054.18
    styrene 817.01
    dioctyl adipate 727.1
    dimethyl sulfate 574.79
    ethyl butyrate 1613.2
    methyl lactate 591.55
    butyl lactate 788.04
    diethyl carbonate 839.58
    propanediol butyl ether 940.79
    triethyl orthoformate 986.65
    p-tert-butyltoluene 429.73
    methyl 4-tert-butylbenzoate 647.62
    morpholine 5583.83
    tert-butylamine 2851.26
    n-dodecanol 358.65
    dimethoxymethane 1768.45
    ethylene carbonate 1584.3
    cyrene 554.77
    2-ethoxyethyl acetate 1622.14
    2-ethylhexyl acetate 1645.55
    1,2,4-trichlorobenzene 1508.37
    4-methylpyridine 3039.23
    dibutyl ether 1723.13
    2,6-dimethyl-4-heptanol 664.49
    DEF 2179.36
    dimethyl isosorbide 1255.48
    tetrachloroethylene 3148.65
    eugenol 584.33
    triacetin 1112.99
    span 80 934.41
    1,4-butanediol 701.86
    1,1-dichloroethane 4643.84
    2-methyl-1-pentanol 1708.57
    methyl formate 805.36
    2-methyl-1-butanol 2502.88
    n-decane 201.51
    butyronitrile 3282.43
    3,7-dimethyl-1-octanol 892.3
    1-chlorooctane 691.07
    1-chlorotetradecane 251.38
    n-nonane 221.98
    undecane 137.06
    tert-butylcyclohexane 325.31
    cyclooctane 400.35
    cyclopentanol 2584.78
    tetrahydropyran 6566.26
    tert-amyl methyl ether 2000.91
    2,5,8-trioxanonane 1441.15
    1-hexene 2458.86
    2-isopropoxyethanol 1453.91
    2,2,2-trifluoroethanol 602.83
    methyl butyrate 1928.27

    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