Acetaldehyde, (octyloxy)-

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  • Identifiers

    CAS number
    53488-14-5

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCCCOCC=O

  • Odor profile

    Fragrance
    Green 75.58%
    Sweet 68.28%
    Fresh 68.07%
    Floral 66.11%
    Waxy 62.85%
    Citrus 62.38%
    Fruity 59.61%
    Fatty 57.42%
    Aldehydic 56.4%
    Orange 49.61%

     

    Flavor
    Green 65.82%
    Waxy 65.8%
    Fresh 48.1%
    Fatty 47.1%
    Sweet 43.08%
    Floral 42.79%
    Mushroom 42.74%
    Fruity 41.79%
    Herbal 41.51%
    Rose 39.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.76 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 96.45 ˚C est.

  • Synonyms

    • Octyloxyacetaldehyde
    • Octyl oxy-acetaldehyde
    • 53488-14-5
    • Acetaldehyde, (octyloxy)-
    • (Octyloxy)acetaldehyde
    • Octyloxy-acetaldehyde
    • 2-(octyloxy)acetaldehyde
    • 668T0OBQ79
    • EINECS 258-582-9
    • UNII-668T0OBQ79
    • DTXSID1068857
    • Acetaldehyde, 2-(octyloxy)-
    • octyl oxyacetaldehyde
    • n-octyl oxyacetaldehyde
    • SCHEMBL3506693
    • DTXCID4041444
    • 4-(4-Fluorobenzyloxy)benzylalcohol
    • AKOS011009124
    • DB-321330
    • NS00032771

  • Applications

    Acetaldehyde, (octyloxy)- (CAS 53488-14-5) is primarily used as an organic synthesis intermediate and fragrance-related precursor. In perfumery it can serve as an odorant precursor and, owing to its long alkyl chain, may act as a fragrance fixative. It is sometimes evaluated for use in cosmetics and personal care as a fragrance ingredient or precursor; as a solvent or processing aid in household products, coatings, inks, and cleaning formulations; and as a building block for specialty chemicals and polymer-related materials in industrial manufacturing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2962.22
    methanol 3388.51
    isopropanol 2095.92
    water 0.1
    ethyl acetate 2643.66
    n-propanol 2176.42
    acetone 3769.4
    n-butanol 1958.76
    acetonitrile 1905.8
    DMF 1577.89
    toluene 615.94
    isobutanol 1409.43
    1,4-dioxane 2573.09
    methyl acetate 1502.93
    THF 4115.83
    2-butanone 2362.96
    n-pentanol 1272.02
    sec-butanol 1555.74
    n-hexane 460.64
    ethylene glycol 271.53
    NMP 1216.7
    cyclohexane 832.49
    DMSO 4522.09
    n-butyl acetate 2118.79
    n-octanol 347.04
    chloroform 3633.41
    n-propyl acetate 1839.77
    acetic acid 1599.95
    dichloromethane 4372.56
    cyclohexanone 3454.83
    propylene glycol 474.91
    isopropyl acetate 1342.43
    DMAc 849.43
    2-ethoxyethanol 1556.97
    isopentanol 1623.45
    n-heptane 287.88
    ethyl formate 1208.09
    1,2-dichloroethane 3465.1
    n-hexanol 1335.08
    2-methoxyethanol 2682.39
    isobutyl acetate 869.64
    tetrachloromethane 672.15
    n-pentyl acetate 814.89
    transcutol 4405.26
    n-heptanol 369.47
    ethylbenzene 349.77
    MIBK 1076.09
    2-propoxyethanol 1766.24
    tert-butanol 2271.6
    MTBE 1772.68
    2-butoxyethanol 794.05
    propionic acid 1233.88
    o-xylene 346.67
    formic acid 321.28
    diethyl ether 2704.07
    m-xylene 411.14
    p-xylene 432.81
    chlorobenzene 1005.17
    dimethyl carbonate 245.02
    n-octane 73.35
    formamide 535.97
    cyclopentanone 2926.13
    2-pentanone 2342.02
    anisole 637.62
    cyclopentyl methyl ether 2206.83
    gamma-butyrolactone 2648.12
    1-methoxy-2-propanol 1884.56
    pyridine 2313.29
    3-pentanone 1330.68
    furfural 1864.51
    n-dodecane 36.57
    diethylene glycol 975.4
    diisopropyl ether 563.87
    tert-amyl alcohol 1457.04
    acetylacetone 1743.55
    n-hexadecane 43.79
    acetophenone 620.21
    methyl propionate 1322.21
    isopentyl acetate 1493.12
    trichloroethylene 4589.31
    n-nonanol 295.37
    cyclohexanol 1916.65
    benzyl alcohol 604.72
    2-ethylhexanol 846.84
    isooctanol 329.45
    dipropyl ether 1506.62
    1,2-dichlorobenzene 842.42
    ethyl lactate 439.36
    propylene carbonate 1301.43
    n-methylformamide 1055.04
    2-pentanol 1326.11
    n-pentane 328.06
    1-propoxy-2-propanol 1576.36
    1-methoxy-2-propyl acetate 1211.22
    2-(2-methoxypropoxy) propanol 575.57
    mesitylene 271.59
    ε-caprolactone 2352.49
    p-cymene 262.73
    epichlorohydrin 3428.78
    1,1,1-trichloroethane 2641.7
    2-aminoethanol 750.97
    morpholine-4-carbaldehyde 1471.97
    sulfolane 2621.69
    2,2,4-trimethylpentane 104.79
    2-methyltetrahydrofuran 3359.86
    n-hexyl acetate 902.81
    isooctane 90.09
    2-(2-butoxyethoxy)ethanol 877.78
    sec-butyl acetate 961.1
    tert-butyl acetate 1288.04
    decalin 196.16
    glycerin 509.06
    diglyme 1969.25
    acrylic acid 790.19
    isopropyl myristate 295.46
    n-butyric acid 2524.37
    acetyl acetate 1021.82
    di(2-ethylhexyl) phthalate 218.22
    ethyl propionate 1240.18
    nitromethane 2528.86
    1,2-diethoxyethane 2003.38
    benzonitrile 893.64
    trioctyl phosphate 176.01
    1-bromopropane 2342.11
    gamma-valerolactone 3131.99
    n-decanol 200.73
    triethyl phosphate 379.4
    4-methyl-2-pentanol 594.93
    propionitrile 1623.65
    vinylene carbonate 1040.5
    1,1,2-trichlorotrifluoroethane 1920.01
    DMS 519.16
    cumene 227.92
    2-octanol 251.15
    2-hexanone 1684.94
    octyl acetate 333.52
    limonene 536.31
    1,2-dimethoxyethane 2689.42
    ethyl orthosilicate 400.55
    tributyl phosphate 275.42
    diacetone alcohol 1179.42
    N,N-dimethylaniline 351.66
    acrylonitrile 1602.13
    aniline 850.23
    1,3-propanediol 1237.02
    bromobenzene 1105.61
    dibromomethane 3236.24
    1,1,2,2-tetrachloroethane 3455.61
    2-methyl-cyclohexyl acetate 691.57
    tetrabutyl urea 323.36
    diisobutyl methanol 470.76
    2-phenylethanol 626.12
    styrene 500.21
    dioctyl adipate 444.38
    dimethyl sulfate 427.83
    ethyl butyrate 1351.6
    methyl lactate 423.61
    butyl lactate 577.93
    diethyl carbonate 654.43
    propanediol butyl ether 582.22
    triethyl orthoformate 762.12
    p-tert-butyltoluene 242.04
    methyl 4-tert-butylbenzoate 424.91
    morpholine 3711.21
    tert-butylamine 1501.53
    n-dodecanol 149.73
    dimethoxymethane 1263.29
    ethylene carbonate 1019.39
    cyrene 449.29
    2-ethoxyethyl acetate 966.54
    2-ethylhexyl acetate 1100.12
    1,2,4-trichlorobenzene 877.24
    4-methylpyridine 1781.43
    dibutyl ether 1012.99
    2,6-dimethyl-4-heptanol 470.76
    DEF 1822.14
    dimethyl isosorbide 990.37
    tetrachloroethylene 2457.49
    eugenol 404.45
    triacetin 666.19
    span 80 578.79
    1,4-butanediol 429.68
    1,1-dichloroethane 3131.06
    2-methyl-1-pentanol 971.5
    methyl formate 680.85
    2-methyl-1-butanol 1291.66
    n-decane 80.29
    butyronitrile 1951.83
    3,7-dimethyl-1-octanol 421.92
    1-chlorooctane 339.03
    1-chlorotetradecane 101.19
    n-nonane 93.62
    undecane 50.86
    tert-butylcyclohexane 167.31
    cyclooctane 182.61
    cyclopentanol 1733.32
    tetrahydropyran 4148.24
    tert-amyl methyl ether 1078.88
    2,5,8-trioxanonane 1028.39
    1-hexene 1313.63
    2-isopropoxyethanol 1050.56
    2,2,2-trifluoroethanol 333.88
    methyl butyrate 1843.33

    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