Cyclohexanepropionaldehyde

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  • Identifiers

    CAS number
    4361-28-8

    Molecular formula
    C9H16O

    SMILES
    C1CCC(CC1)CCC=O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 80.24%
    Aldehydic 67.02%
    Fresh 62.27%
    Floral 60.4%
    Fruity 56.33%
    Citrus 52.22%
    Waxy 49.22%
    Fatty 44.38%
    Melon 42.43%
    Ozone 39.12%

     

    Flavor
    Green 58.77%
    Fatty 46.05%
    Fresh 39.51%
    Fruity 34.88%
    Waxy 34.27%
    Fat 27.62%
    Oily 27.24%
    Floral 27.11%
    Rose 26.38%
    Herbal 25.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.88 (neutral)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    212°C

    Flash point

    • 78.36 ˚C est.

  • Synonyms

    • Cyclohexanepropionaldehyde
    • 3-Cyclohexylpropionaldehyde
    • Cyclohexanepropanal
    • NSC 20772
    • EINECS 224-446-2
    • DTXSID20195886
    • RefChem:129603
    • DTXCID60118377
    • 224-446-2
    • RKFNAZGRJVNWEW-UHFFFAOYSA-N
    • 3-Cyclohexylpropanal
    • 4361-28-8
    • MFCD00012280
    • DHT5VZP5ZF
    • 3-(Cyclohexyl)propionaldehyde
    • NSC-20772
    • 3-cyclohexylpropan-1-al
    • NSC20772
    • 3-Cyclohexylpropanal #
    • UNII-DHT5VZP5ZF
    • 3-cyclohexylpropan-1 -al
    • 3-cyclohexyl-propionaldehyde
    • SCHEMBL826390
    • SCHEMBL911042
    • SCHEMBL5571877
    • AKOS008968688
    • AT28904
    • FC20717
    • 3-Cyclohexylpropionaldehyde, AldrichCPR
    • AS-87144
    • DB-366408
    • NS00031354
    • EN300-179906
    • A800993
    • A1-02983
    • Z57921395
    • 4361-28-8

  • Applications

    Cyclohexanepropionaldehyde (CAS 4361-28-8) is used primarily as an intermediate in the synthesis of fragrance chemicals and as a fragrance-related ingredient. In perfumery and cosmetics, it serves as an odorant and as an intermediate for other aroma compounds. It may also function as a precursor in the manufacture of specialty polymers and materials for industrial applications. Additionally, it can appear as a fragrance component in household cleaning products. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2935.14
    methanol 3149.72
    isopropanol 1927.37
    water 0.43
    ethyl acetate 4966.22
    n-propanol 2382.79
    acetone 8518.77
    n-butanol 2069.34
    acetonitrile 3361.91
    DMF 4929.41
    toluene 1521.96
    isobutanol 1540.86
    1,4-dioxane 4007.35
    methyl acetate 3300.46
    THF 8523.22
    2-butanone 5431.74
    n-pentanol 929.96
    sec-butanol 1477.1
    n-hexane 273.66
    ethylene glycol 562.25
    NMP 4986.49
    cyclohexane 513.92
    DMSO 10950.12
    n-butyl acetate 3185.35
    n-octanol 432.64
    chloroform 6980.41
    n-propyl acetate 2305.54
    acetic acid 2930.04
    dichloromethane 8415.96
    cyclohexanone 6609.94
    propylene glycol 790.87
    isopropyl acetate 2229.88
    DMAc 2033.25
    2-ethoxyethanol 1616.57
    isopentanol 1657.02
    n-heptane 172.4
    ethyl formate 2780.34
    1,2-dichloroethane 7149.69
    n-hexanol 1246.4
    2-methoxyethanol 3985.48
    isobutyl acetate 1034.8
    tetrachloromethane 1434.31
    n-pentyl acetate 1274.78
    transcutol 8288.62
    n-heptanol 450.19
    ethylbenzene 631.85
    MIBK 1742.81
    2-propoxyethanol 2292.1
    tert-butanol 2101.97
    MTBE 1964.76
    2-butoxyethanol 1119.76
    propionic acid 2598.11
    o-xylene 800.28
    formic acid 1002.64
    diethyl ether 2781.77
    m-xylene 967.62
    p-xylene 730.64
    chlorobenzene 2767.15
    dimethyl carbonate 1025.26
    n-octane 48.43
    formamide 2268.1
    cyclopentanone 10332.83
    2-pentanone 4514.08
    anisole 1508.99
    cyclopentyl methyl ether 3885.48
    gamma-butyrolactone 10679.79
    1-methoxy-2-propanol 2802.59
    pyridine 4966.07
    3-pentanone 2919.99
    furfural 6752.1
    n-dodecane 26.5
    diethylene glycol 1427.58
    diisopropyl ether 700.58
    tert-amyl alcohol 1388.54
    acetylacetone 4641.87
    n-hexadecane 32.92
    acetophenone 1362.58
    methyl propionate 3361.1
    isopentyl acetate 2150.54
    trichloroethylene 11554.5
    n-nonanol 353.24
    cyclohexanol 2068.82
    benzyl alcohol 1073.84
    2-ethylhexanol 765.35
    isooctanol 375.02
    dipropyl ether 1338.55
    1,2-dichlorobenzene 2439.36
    ethyl lactate 645.41
    propylene carbonate 4330.25
    n-methylformamide 4326.07
    2-pentanol 1210.33
    n-pentane 213.83
    1-propoxy-2-propanol 1872.02
    1-methoxy-2-propyl acetate 2382.63
    2-(2-methoxypropoxy) propanol 893.38
    mesitylene 545.92
    ε-caprolactone 4916.87
    p-cymene 405.28
    epichlorohydrin 9461.34
    1,1,1-trichloroethane 5290.05
    2-aminoethanol 1305.6
    morpholine-4-carbaldehyde 3919.48
    sulfolane 11287.43
    2,2,4-trimethylpentane 97.4
    2-methyltetrahydrofuran 6675.83
    n-hexyl acetate 1579.13
    isooctane 82.82
    2-(2-butoxyethoxy)ethanol 1534.44
    sec-butyl acetate 1250.57
    tert-butyl acetate 2101.15
    decalin 178.19
    glycerin 966.72
    diglyme 3243.62
    acrylic acid 2257.7
    isopropyl myristate 440.06
    n-butyric acid 4028.48
    acetyl acetate 2179.45
    di(2-ethylhexyl) phthalate 381.29
    ethyl propionate 2077.78
    nitromethane 7530.92
    1,2-diethoxyethane 2685.21
    benzonitrile 1986.89
    trioctyl phosphate 289.93
    1-bromopropane 2697.34
    gamma-valerolactone 8641.07
    n-decanol 248.54
    triethyl phosphate 516.86
    4-methyl-2-pentanol 560.94
    propionitrile 2700.87
    vinylene carbonate 3192.67
    1,1,2-trichlorotrifluoroethane 4077.84
    DMS 1296.83
    cumene 364.29
    2-octanol 311.25
    2-hexanone 2233.59
    octyl acetate 550.74
    limonene 662.51
    1,2-dimethoxyethane 2942.29
    ethyl orthosilicate 512.29
    tributyl phosphate 482.69
    diacetone alcohol 2142.4
    N,N-dimethylaniline 703.58
    acrylonitrile 3662.8
    aniline 2249.76
    1,3-propanediol 1954.32
    bromobenzene 2930.77
    dibromomethane 5356.5
    1,1,2,2-tetrachloroethane 7675.19
    2-methyl-cyclohexyl acetate 948.39
    tetrabutyl urea 538.2
    diisobutyl methanol 469.51
    2-phenylethanol 1055.87
    styrene 949.14
    dioctyl adipate 704.75
    dimethyl sulfate 1811.91
    ethyl butyrate 1848.22
    methyl lactate 1081.41
    butyl lactate 920.51
    diethyl carbonate 992.12
    propanediol butyl ether 999.3
    triethyl orthoformate 979.97
    p-tert-butyltoluene 389.23
    methyl 4-tert-butylbenzoate 842.9
    morpholine 5265.3
    tert-butylamine 1230.61
    n-dodecanol 176.23
    dimethoxymethane 3090.65
    ethylene carbonate 2698.82
    cyrene 795.28
    2-ethoxyethyl acetate 1895.08
    2-ethylhexyl acetate 1634.65
    1,2,4-trichlorobenzene 2646.12
    4-methylpyridine 4077.03
    dibutyl ether 1031.4
    2,6-dimethyl-4-heptanol 469.51
    DEF 3431.21
    dimethyl isosorbide 1951.95
    tetrachloroethylene 5314.9
    eugenol 789.92
    triacetin 1228.06
    span 80 816.06
    1,4-butanediol 503.33
    1,1-dichloroethane 5495.64
    2-methyl-1-pentanol 819.75
    methyl formate 2966.96
    2-methyl-1-butanol 1463.27
    n-decane 55.42
    butyronitrile 2749.28
    3,7-dimethyl-1-octanol 568.3
    1-chlorooctane 423.16
    1-chlorotetradecane 114.74
    n-nonane 61.14
    undecane 36.11
    tert-butylcyclohexane 148.8
    cyclooctane 149.54
    cyclopentanol 2807.17
    tetrahydropyran 5492.37
    tert-amyl methyl ether 1234.74
    2,5,8-trioxanonane 1624.86
    1-hexene 940.44
    2-isopropoxyethanol 1026.62
    2,2,2-trifluoroethanol 1018.45
    methyl butyrate 2880.2

    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