Acetaldehyde, (decyloxy)-

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  • Identifiers

    CAS number
    72894-07-6

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCCCCCOCC=O

  • Odor profile

    Fragrance
    Citrus 65.09%
    Waxy 65.09%
    Fatty 60.78%
    Fresh 60.54%
    Floral 58.43%
    Fruity 58.03%
    Sweet 55.87%
    Aldehydic 53.1%
    Rose 50.16%
    Orange 49.94%

     

    Flavor
    Waxy 76.03%
    Green 59.06%
    Floral 56.0%
    Fatty 49.81%
    Fresh 48.94%
    Rose 48.9%
    Citrus 44.48%
    Soapy 43.15%
    Orange 42.02%
    Clean 41.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.52 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 114.89 ˚C est.

  • Synonyms

    • (Decyloxy)acetaldehyde
    • Acetaldehyde, (decyloxy)-
    • 72894-07-6
    • Acetaldehyde, 2-(decyloxy)-
    • EINECS 276-961-7
    • DTXSID2072627
    • decyl oxyacetaldehyde
    • decyloxy-acetaldehyde
    • SCHEMBL5035861
    • DTXCID0047379
    • SWBGVIRRFYDZBQ-UHFFFAOYSA-N
    • NS00012204
    • 276-961-7

  • Applications

    Acetaldehyde, (decyloxy)- (CAS 72894-07-6) is primarily used as an intermediate in fragrance and flavor chemistry, serving as a building block for aroma materials and perfumery ingredients. It may also function as a solvent or processing aid in industrial manufacturing, notably in coatings, inks, and adhesives. It can act as a precursor for specialty polymers and resins in plastics applications. In cosmetics and personal care, it may appear as a fragrance component or modifier; in household products it can serve as an odorant or fragrance additive. It may also be evaluated for cleaning formulations as a solvent or fragrance contributor, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1461.71
    methanol 1465.63
    isopropanol 1339.93
    water 0.03
    ethyl acetate 2139.9
    n-propanol 1297.93
    acetone 2560.27
    n-butanol 1289.18
    acetonitrile 1154.33
    DMF 1155.92
    toluene 549.3
    isobutanol 961.67
    1,4-dioxane 2084.5
    methyl acetate 1202.52
    THF 3718.13
    2-butanone 1835.18
    n-pentanol 878.44
    sec-butanol 1081.58
    n-hexane 444.31
    ethylene glycol 105.83
    NMP 1116.66
    cyclohexane 1010.39
    DMSO 3112.26
    n-butyl acetate 1911.44
    n-octanol 312.39
    chloroform 3165.02
    n-propyl acetate 1700.67
    acetic acid 895.75
    dichloromethane 3644.98
    cyclohexanone 3230.62
    propylene glycol 231.67
    isopropyl acetate 1279.84
    DMAc 796.83
    2-ethoxyethanol 1137.83
    isopentanol 1208.73
    n-heptane 333.43
    ethyl formate 916.88
    1,2-dichloroethane 3007.83
    n-hexanol 978.63
    2-methoxyethanol 1715.64
    isobutyl acetate 868.01
    tetrachloromethane 663.11
    n-pentyl acetate 911.66
    transcutol 3413.58
    n-heptanol 332.94
    ethylbenzene 349.83
    MIBK 1069.91
    2-propoxyethanol 1322.3
    tert-butanol 1730.2
    MTBE 1597.14
    2-butoxyethanol 722.94
    propionic acid 805.44
    o-xylene 351.25
    formic acid 145.14
    diethyl ether 2176.02
    m-xylene 381.71
    p-xylene 447.45
    chlorobenzene 924.5
    dimethyl carbonate 207.55
    n-octane 87.51
    formamide 282.88
    cyclopentanone 2662.99
    2-pentanone 1998.22
    anisole 609.77
    cyclopentyl methyl ether 2089.28
    gamma-butyrolactone 2381.26
    1-methoxy-2-propanol 1415.47
    pyridine 1887.82
    3-pentanone 1175.61
    furfural 1623.97
    n-dodecane 38.97
    diethylene glycol 602.9
    diisopropyl ether 568.87
    tert-amyl alcohol 1179.84
    acetylacetone 1570.61
    n-hexadecane 47.31
    acetophenone 617.58
    methyl propionate 1077.42
    isopentyl acetate 1415.49
    trichloroethylene 3851.31
    n-nonanol 276.86
    cyclohexanol 1584.83
    benzyl alcohol 495.39
    2-ethylhexanol 743.35
    isooctanol 327.72
    dipropyl ether 1607.43
    1,2-dichlorobenzene 849.01
    ethyl lactate 417.24
    propylene carbonate 1213.63
    n-methylformamide 677.13
    2-pentanol 1008.23
    n-pentane 301.94
    1-propoxy-2-propanol 1358.06
    1-methoxy-2-propyl acetate 1112.87
    2-(2-methoxypropoxy) propanol 512.23
    mesitylene 279.33
    ε-caprolactone 2193.59
    p-cymene 276.49
    epichlorohydrin 2943.87
    1,1,1-trichloroethane 2484.36
    2-aminoethanol 361.53
    morpholine-4-carbaldehyde 1270.11
    sulfolane 2465.21
    2,2,4-trimethylpentane 111.22
    2-methyltetrahydrofuran 3012.69
    n-hexyl acetate 937.58
    isooctane 92.35
    2-(2-butoxyethoxy)ethanol 767.48
    sec-butyl acetate 1005.18
    tert-butyl acetate 1318.51
    decalin 222.19
    glycerin 271.75
    diglyme 1780.57
    acrylic acid 489.62
    isopropyl myristate 315.55
    n-butyric acid 1874.06
    acetyl acetate 925.93
    di(2-ethylhexyl) phthalate 212.81
    ethyl propionate 1221.7
    nitromethane 1690.23
    1,2-diethoxyethane 1863.99
    benzonitrile 786.7
    trioctyl phosphate 177.89
    1-bromopropane 2167.9
    gamma-valerolactone 2908.44
    n-decanol 184.87
    triethyl phosphate 415.63
    4-methyl-2-pentanol 526.82
    propionitrile 1163.94
    vinylene carbonate 905.63
    1,1,2-trichlorotrifluoroethane 1579.97
    DMS 482.71
    cumene 235.85
    2-octanol 247.66
    2-hexanone 1512.4
    octyl acetate 349.66
    limonene 566.39
    1,2-dimethoxyethane 2302.89
    ethyl orthosilicate 435.32
    tributyl phosphate 271.96
    diacetone alcohol 1089.64
    N,N-dimethylaniline 350.14
    acrylonitrile 1052.02
    aniline 668.73
    1,3-propanediol 690.68
    bromobenzene 1050.78
    dibromomethane 2763.34
    1,1,2,2-tetrachloroethane 3274.94
    2-methyl-cyclohexyl acetate 734.78
    tetrabutyl urea 332.23
    diisobutyl methanol 459.99
    2-phenylethanol 522.86
    styrene 468.71
    dioctyl adipate 466.36
    dimethyl sulfate 370.68
    ethyl butyrate 1386.53
    methyl lactate 332.34
    butyl lactate 566.68
    diethyl carbonate 674.79
    propanediol butyl ether 475.52
    triethyl orthoformate 842.46
    p-tert-butyltoluene 255.93
    methyl 4-tert-butylbenzoate 457.58
    morpholine 3029.82
    tert-butylamine 1196.69
    n-dodecanol 139.35
    dimethoxymethane 1026.58
    ethylene carbonate 943.63
    cyrene 422.38
    2-ethoxyethyl acetate 1000.62
    2-ethylhexyl acetate 1098.89
    1,2,4-trichlorobenzene 885.29
    4-methylpyridine 1553.18
    dibutyl ether 1081.35
    2,6-dimethyl-4-heptanol 459.99
    DEF 1582.94
    dimethyl isosorbide 995.24
    tetrachloroethylene 2225.04
    eugenol 392.0
    triacetin 683.79
    span 80 515.46
    1,4-butanediol 253.04
    1,1-dichloroethane 2671.41
    2-methyl-1-pentanol 746.87
    methyl formate 441.21
    2-methyl-1-butanol 956.75
    n-decane 91.11
    butyronitrile 1441.89
    3,7-dimethyl-1-octanol 400.95
    1-chlorooctane 371.39
    1-chlorotetradecane 109.07
    n-nonane 106.12
    undecane 54.99
    tert-butylcyclohexane 179.51
    cyclooctane 218.45
    cyclopentanol 1356.85
    tetrahydropyran 3812.95
    tert-amyl methyl ether 1014.03
    2,5,8-trioxanonane 945.67
    1-hexene 1164.82
    2-isopropoxyethanol 856.54
    2,2,2-trifluoroethanol 218.36
    methyl butyrate 1800.02

    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