3-(4-Cyclohexylphenyl)-2-methylpropanal

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  • Identifiers

    CAS number
    17580-94-8

    Molecular formula
    C16H22O

    SMILES
    CC(CC1=CC=C(C=C1)C2CCCCC2)C=O

  • Odor profile

    Fragrance
    Green 79.92%
    Floral 76.53%
    Fresh 63.45%
    Aldehydic 56.85%
    Sweet 47.05%
    Fruity 46.79%
    Lily 45.26%
    Muguet 44.58%
    Melon 43.61%
    Ozone 40.76%

     

    Flavor
    Green 58.88%
    Fresh 43.57%
    Floral 43.41%
    Herbal 36.18%
    Sweet 35.63%
    Balsam 34.82%
    Spicy 32.58%
    Spice 28.69%
    Leaf 27.57%
    Rose 27.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.64 (neutral)

    Molecular weight
    230.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    335°C

    Flash point

    • 157.57 ˚C est.

  • Synonyms

    • 3-(4-cyclohexylphenyl)-2-methylpropanal
    • 17580-94-8
    • 3-(4-CYCLOHEXYLPHENYL)-2-METHYL-PROPANAL
    • NSC22278
    • Benzenepropanal,4-cyclohexyl-a-methyl-
    • SCHEMBL11254691
    • DTXSID00281635
    • NSC-22278
    • DS-006938

  • Applications

    3-(4-Cyclohexylphenyl)-2-methylpropanal (CAS 17580-94-8) is typically used as a fragrance-related aldehyde and may function as an aroma chemical precursor and odorant in perfumery; in cosmetics and personal care products it may be applied as a fragrance ingredient to contribute specific notes. It can also serve as a synthetic building block in industrial manufacturing for the preparation of related aromatic compounds; in coatings and inks formulations it may be employed as a fragrance additive to impart particular odor characteristics. Additionally, it may be evaluated for use as an aroma or flavor intermediate in food processing under appropriate regulatory controls; overall, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2086.44
    methanol 1457.42
    isopropanol 1477.27
    water 0.06
    ethyl acetate 4284.55
    n-propanol 1559.68
    acetone 3728.57
    n-butanol 1299.54
    acetonitrile 2257.59
    DMF 2114.78
    toluene 945.09
    isobutanol 833.12
    1,4-dioxane 3739.33
    methyl acetate 2464.26
    THF 3277.19
    2-butanone 2769.61
    n-pentanol 620.87
    sec-butanol 770.16
    n-hexane 99.09
    ethylene glycol 83.11
    NMP 532.4
    cyclohexane 159.87
    DMSO 1259.19
    n-butyl acetate 1737.84
    n-octanol 133.27
    chloroform 3822.51
    n-propyl acetate 1576.59
    acetic acid 551.24
    dichloromethane 4865.42
    cyclohexanone 2163.55
    propylene glycol 190.67
    isopropyl acetate 2199.6
    DMAc 1265.51
    2-ethoxyethanol 1236.47
    isopentanol 986.78
    n-heptane 45.77
    ethyl formate 1132.07
    1,2-dichloroethane 4054.83
    n-hexanol 673.39
    2-methoxyethanol 2129.93
    isobutyl acetate 917.67
    tetrachloromethane 357.84
    n-pentyl acetate 519.13
    transcutol 4383.2
    n-heptanol 169.29
    ethylbenzene 350.01
    MIBK 1202.25
    2-propoxyethanol 1553.17
    tert-butanol 1307.01
    MTBE 2629.57
    2-butoxyethanol 501.36
    propionic acid 634.26
    o-xylene 341.59
    formic acid 101.94
    diethyl ether 4348.07
    m-xylene 469.39
    p-xylene 353.85
    chlorobenzene 1008.21
    dimethyl carbonate 523.5
    n-octane 21.58
    formamide 307.28
    cyclopentanone 1944.23
    2-pentanone 2667.15
    anisole 855.42
    cyclopentyl methyl ether 1442.35
    gamma-butyrolactone 1822.34
    1-methoxy-2-propanol 1630.32
    pyridine 2057.41
    3-pentanone 1675.61
    furfural 1249.84
    n-dodecane 15.45
    diethylene glycol 681.47
    diisopropyl ether 696.0
    tert-amyl alcohol 677.29
    acetylacetone 2152.29
    n-hexadecane 18.5
    acetophenone 599.28
    methyl propionate 2073.48
    isopentyl acetate 1366.41
    trichloroethylene 4748.51
    n-nonanol 130.73
    cyclohexanol 654.55
    benzyl alcohol 490.86
    2-ethylhexanol 330.5
    isooctanol 164.87
    dipropyl ether 946.04
    1,2-dichlorobenzene 783.5
    ethyl lactate 319.05
    propylene carbonate 956.31
    n-methylformamide 999.96
    2-pentanol 759.56
    n-pentane 89.45
    1-propoxy-2-propanol 1056.99
    1-methoxy-2-propyl acetate 1558.03
    2-(2-methoxypropoxy) propanol 449.1
    mesitylene 251.66
    ε-caprolactone 1529.54
    p-cymene 155.97
    epichlorohydrin 3455.01
    1,1,1-trichloroethane 2252.3
    2-aminoethanol 346.55
    morpholine-4-carbaldehyde 1249.1
    sulfolane 1108.51
    2,2,4-trimethylpentane 40.41
    2-methyltetrahydrofuran 2116.81
    n-hexyl acetate 545.29
    isooctane 46.81
    2-(2-butoxyethoxy)ethanol 749.3
    sec-butyl acetate 1011.92
    tert-butyl acetate 1704.59
    decalin 69.51
    glycerin 207.59
    diglyme 1757.55
    acrylic acid 350.29
    isopropyl myristate 215.54
    n-butyric acid 1589.09
    acetyl acetate 1278.27
    di(2-ethylhexyl) phthalate 144.87
    ethyl propionate 1260.67
    nitromethane 1631.98
    1,2-diethoxyethane 2302.61
    benzonitrile 672.34
    trioctyl phosphate 98.43
    1-bromopropane 2240.74
    gamma-valerolactone 2583.69
    n-decanol 103.44
    triethyl phosphate 246.94
    4-methyl-2-pentanol 409.17
    propionitrile 1771.02
    vinylene carbonate 811.83
    1,1,2-trichlorotrifluoroethane 1009.7
    DMS 583.97
    cumene 193.25
    2-octanol 105.41
    2-hexanone 1166.17
    octyl acetate 236.08
    limonene 231.97
    1,2-dimethoxyethane 2478.73
    ethyl orthosilicate 260.99
    tributyl phosphate 161.33
    diacetone alcohol 1073.54
    N,N-dimethylaniline 355.93
    acrylonitrile 1517.76
    aniline 801.58
    1,3-propanediol 757.08
    bromobenzene 1134.88
    dibromomethane 2916.67
    1,1,2,2-tetrachloroethane 3396.43
    2-methyl-cyclohexyl acetate 441.54
    tetrabutyl urea 181.98
    diisobutyl methanol 229.95
    2-phenylethanol 462.78
    styrene 532.79
    dioctyl adipate 280.64
    dimethyl sulfate 470.36
    ethyl butyrate 1042.23
    methyl lactate 392.68
    butyl lactate 316.17
    diethyl carbonate 549.31
    propanediol butyl ether 310.5
    triethyl orthoformate 555.29
    p-tert-butyltoluene 154.59
    methyl 4-tert-butylbenzoate 338.4
    morpholine 4182.86
    tert-butylamine 813.59
    n-dodecanol 81.83
    dimethoxymethane 2746.23
    ethylene carbonate 832.9
    cyrene 295.12
    2-ethoxyethyl acetate 964.28
    2-ethylhexyl acetate 883.91
    1,2,4-trichlorobenzene 774.44
    4-methylpyridine 1966.7
    dibutyl ether 551.48
    2,6-dimethyl-4-heptanol 229.95
    DEF 2116.65
    dimethyl isosorbide 743.79
    tetrachloroethylene 1879.17
    eugenol 311.89
    triacetin 475.65
    span 80 284.54
    1,4-butanediol 212.93
    1,1-dichloroethane 3630.42
    2-methyl-1-pentanol 492.48
    methyl formate 631.16
    2-methyl-1-butanol 716.97
    n-decane 27.65
    butyronitrile 1871.45
    3,7-dimethyl-1-octanol 224.15
    1-chlorooctane 161.4
    1-chlorotetradecane 59.11
    n-nonane 26.58
    undecane 19.85
    tert-butylcyclohexane 67.76
    cyclooctane 47.81
    cyclopentanol 513.85
    tetrahydropyran 3564.12
    tert-amyl methyl ether 1017.68
    2,5,8-trioxanonane 878.41
    1-hexene 610.63
    2-isopropoxyethanol 830.49
    2,2,2-trifluoroethanol 162.22
    methyl butyrate 1602.86

    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