Cyclohexaneacetaldehyde, alpha-methyl-

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  • Identifiers

    CAS number
    2109-22-0

    Molecular formula
    C9H16O

    SMILES
    CC(C=O)C1CCCCC1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 80.96%
    Fruity 70.17%
    Fresh 59.78%
    Aldehydic 54.97%
    Floral 44.15%
    Citrus 40.68%
    Melon 38.25%
    Herbal 34.88%
    Ozone 30.96%
    Fatty 30.01%

     

    Flavor
    Green 42.91%
    Fresh 32.42%
    Herbal 30.89%
    Fruity 29.96%
    Fatty 27.56%
    Floral 24.91%
    Spicy 24.41%
    Mint 23.36%
    Oily 23.35%
    Minty 21.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.48 (neutral)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 73.45 ˚C est.

  • Synonyms

    • 2-cyclohexylpropanal
    • 2109-22-0
    • 2-cyclohexyl propanal
    • 2-Cyclohexyl propionaldehyde
    • Cyclohexaneacetaldehyde, alpha-methyl-
    • Cyclohexaneacetaldehyde, .alpha.-methyl-
    • DTXSID10862833
    • NSC 20771
    • EC 412-270-0
    • NSC20771
    • 2-cyclohexyl-propionaldehyde
    • SCHEMBL1302104
    • CHEMBL3733263
    • 2-Cyclohexylpropanal, AldrichCPR
    • DTXCID80811550
    • NSC-20771
    • AKOS006277188
    • DB-013012
    • CS-0107170
    • NS00007730
    • EN300-132454
    • G23723
    • F8884-0935
    • Z1198160362
    • 412-270-0

  • Applications

    Cyclohexaneacetaldehyde, alpha-methyl- (CAS 2109-22-0) is primarily used as an organic synthesis intermediate and building block across several industries. In perfumery and cosmetics, it serves as an odorant precursor and a stepping stone to more complex fragrance and cosmetic ingredients. It may also be evaluated as an aroma precursor for flavor applications in the food sector, depending on formulation and safety regulations. In industrial manufacturing, it is used as an intermediate to access related cycloalkyl aldehyde derivatives and other functional compounds. In coatings and inks, it can be employed as a reactive aldehyde in resin and polymer chemistry to enable cross-linking or further derivatization. Actual use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2602.2
    methanol 1736.57
    isopropanol 2676.4
    water 0.47
    ethyl acetate 3600.83
    n-propanol 2268.88
    acetone 4636.87
    n-butanol 2046.79
    acetonitrile 3808.24
    DMF 2638.47
    toluene 1111.39
    isobutanol 1788.84
    1,4-dioxane 3619.71
    methyl acetate 2929.85
    THF 4869.21
    2-butanone 3417.82
    n-pentanol 918.58
    sec-butanol 1721.25
    n-hexane 297.96
    ethylene glycol 232.26
    NMP 2075.97
    cyclohexane 593.04
    DMSO 3123.18
    n-butyl acetate 2694.7
    n-octanol 455.86
    chloroform 7153.87
    n-propyl acetate 1626.18
    acetic acid 1544.03
    dichloromethane 7278.19
    cyclohexanone 3996.62
    propylene glycol 419.12
    isopropyl acetate 1804.08
    DMAc 1107.11
    2-ethoxyethanol 1025.76
    isopentanol 1719.3
    n-heptane 216.13
    ethyl formate 1958.22
    1,2-dichloroethane 4769.5
    n-hexanol 1468.52
    2-methoxyethanol 2054.03
    isobutyl acetate 861.57
    tetrachloromethane 1225.83
    n-pentyl acetate 1008.69
    transcutol 3867.15
    n-heptanol 490.27
    ethylbenzene 502.18
    MIBK 1370.25
    2-propoxyethanol 1974.87
    tert-butanol 2608.97
    MTBE 2405.45
    2-butoxyethanol 850.88
    propionic acid 1903.5
    o-xylene 570.6
    formic acid 312.02
    diethyl ether 2735.36
    m-xylene 691.89
    p-xylene 618.37
    chlorobenzene 2057.97
    dimethyl carbonate 550.37
    n-octane 83.34
    formamide 602.31
    cyclopentanone 4570.63
    2-pentanone 2778.34
    anisole 997.3
    cyclopentyl methyl ether 2223.19
    gamma-butyrolactone 5089.55
    1-methoxy-2-propanol 1717.32
    pyridine 3219.72
    3-pentanone 1723.95
    furfural 2857.49
    n-dodecane 53.96
    diethylene glycol 956.94
    diisopropyl ether 737.04
    tert-amyl alcohol 1453.6
    acetylacetone 2425.92
    n-hexadecane 64.74
    acetophenone 785.01
    methyl propionate 2041.77
    isopentyl acetate 1826.06
    trichloroethylene 7588.26
    n-nonanol 372.36
    cyclohexanol 1657.62
    benzyl alcohol 668.39
    2-ethylhexanol 797.31
    isooctanol 418.94
    dipropyl ether 1338.68
    1,2-dichlorobenzene 1620.17
    ethyl lactate 445.48
    propylene carbonate 2529.13
    n-methylformamide 1837.05
    2-pentanol 1339.68
    n-pentane 315.02
    1-propoxy-2-propanol 1652.86
    1-methoxy-2-propyl acetate 1685.94
    2-(2-methoxypropoxy) propanol 644.07
    mesitylene 441.42
    ε-caprolactone 2947.12
    p-cymene 337.87
    epichlorohydrin 5184.0
    1,1,1-trichloroethane 4935.21
    2-aminoethanol 617.83
    morpholine-4-carbaldehyde 1950.25
    sulfolane 4206.35
    2,2,4-trimethylpentane 110.66
    2-methyltetrahydrofuran 3839.65
    n-hexyl acetate 1201.82
    isooctane 121.98
    2-(2-butoxyethoxy)ethanol 1036.85
    sec-butyl acetate 976.98
    tert-butyl acetate 1674.31
    decalin 169.14
    glycerin 440.58
    diglyme 2066.07
    acrylic acid 1235.81
    isopropyl myristate 403.09
    n-butyric acid 3114.67
    acetyl acetate 1477.35
    di(2-ethylhexyl) phthalate 295.99
    ethyl propionate 1287.43
    nitromethane 3375.35
    1,2-diethoxyethane 2025.43
    benzonitrile 1529.76
    trioctyl phosphate 239.41
    1-bromopropane 3040.0
    gamma-valerolactone 4264.36
    n-decanol 267.42
    triethyl phosphate 347.73
    4-methyl-2-pentanol 668.92
    propionitrile 3137.98
    vinylene carbonate 2006.85
    1,1,2-trichlorotrifluoroethane 1813.9
    DMS 811.43
    cumene 302.73
    2-octanol 346.82
    2-hexanone 1479.3
    octyl acetate 480.02
    limonene 564.98
    1,2-dimethoxyethane 2030.38
    ethyl orthosilicate 363.85
    tributyl phosphate 340.9
    diacetone alcohol 1405.97
    N,N-dimethylaniline 445.23
    acrylonitrile 3175.89
    aniline 1294.96
    1,3-propanediol 1240.17
    bromobenzene 2285.5
    dibromomethane 5060.87
    1,1,2,2-tetrachloroethane 5017.52
    2-methyl-cyclohexyl acetate 691.29
    tetrabutyl urea 362.82
    diisobutyl methanol 485.17
    2-phenylethanol 816.03
    styrene 701.5
    dioctyl adipate 503.1
    dimethyl sulfate 751.31
    ethyl butyrate 1454.42
    methyl lactate 614.41
    butyl lactate 673.52
    diethyl carbonate 762.18
    propanediol butyl ether 670.86
    triethyl orthoformate 750.07
    p-tert-butyltoluene 333.17
    methyl 4-tert-butylbenzoate 608.75
    morpholine 3905.31
    tert-butylamine 1676.84
    n-dodecanol 202.88
    dimethoxymethane 1651.01
    ethylene carbonate 1819.54
    cyrene 457.18
    2-ethoxyethyl acetate 1219.62
    2-ethylhexyl acetate 1237.73
    1,2,4-trichlorobenzene 1648.69
    4-methylpyridine 2752.81
    dibutyl ether 916.95
    2,6-dimethyl-4-heptanol 485.17
    DEF 2029.37
    dimethyl isosorbide 1199.58
    tetrachloroethylene 3192.81
    eugenol 562.02
    triacetin 814.03
    span 80 597.46
    1,4-butanediol 340.22
    1,1-dichloroethane 5730.67
    2-methyl-1-pentanol 732.35
    methyl formate 1351.0
    2-methyl-1-butanol 1339.59
    n-decane 98.74
    butyronitrile 3129.18
    3,7-dimethyl-1-octanol 518.2
    1-chlorooctane 444.84
    1-chlorotetradecane 149.24
    n-nonane 104.28
    undecane 70.8
    tert-butylcyclohexane 150.05
    cyclooctane 159.49
    cyclopentanol 1961.67
    tetrahydropyran 4265.88
    tert-amyl methyl ether 1153.27
    2,5,8-trioxanonane 1018.53
    1-hexene 1009.59
    2-isopropoxyethanol 797.49
    2,2,2-trifluoroethanol 524.25
    methyl butyrate 1857.56

    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