Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-

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  • Identifiers

    CAS number
    20691-52-5

    Molecular formula
    C11H20O

    SMILES
    CC(C)(C)C1CCC(CC1)C=O

  • Odor profile

    Fragrance
    Floral 76.01%
    Woody 66.56%
    Fresh 49.11%
    Aldehydic 46.23%
    Muguet 44.31%
    Green 41.73%
    Herbal 40.29%
    Lily 39.07%
    Dry 37.83%
    Ozone 37.28%

     

    Flavor
    Green 60.72%
    Herbal 44.1%
    Fruity 37.39%
    Woody 36.49%
    Fresh 36.2%
    Sweet 30.99%
    Spicy 29.73%
    Citrus 29.36%
    Spice 29.01%
    Mint 27.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.13 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point

    • 86.73 ˚C est.

  • Synonyms

    • 20691-52-5
    • 4-tert-butylcyclohexane-1-carbaldehyde
    • 4-tert-Butylcyclohexanecarbaldehyde
    • Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-
    • 4-tert-Butyl-cyclohexanecarboxaldehyde
    • EINECS 243-974-4
    • DTXSID7066643
    • (1s,4s)-4-(tert-Butyl)cyclohexanecarbaldehyde
    • 15763-61-8
    • 4-(tert-butyl)cyclohexanecarbaldehyde
    • 1-formyl-4-t-butylcyclohexane
    • SCHEMBL3188180
    • SCHEMBL5212274
    • DTXCID3036369
    • SCHEMBL14528068
    • SCHEMBL17728906
    • MXGRYXNVQNESIN-MGCOHNPYSA-N
    • 4-tert-butyl-cyclohexanecarbaldehyde
    • AKOS012322191
    • 4-tert-butyl cyclohexane carboxaldehyde
    • 4-tert.butyl-cyclohexane-1-carboxaldehyde
    • DB-286343
    • CS-0233472
    • NS00012032
    • 4-(1,1-dimethylethyl)cyclohexanecarboxaldehyde
    • EN300-133782
    • G59780
    • trans-4-(1,1-dimethylethyl)cyclohexanecarbaldehyde
    • A1-31700
    • A1-31701
    • trans-4-(1,1-dimethylethyl)cyclohexanecarboxaldehyde
    • Z1079442768

  • Applications

    Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)- (CAS number: 20691-52-5) is primarily utilized as a fragrance ingredient and synthetic intermediate in the aroma industry, enabling the development of woody and green notes in perfumery. It may also serve in cosmetics and personal care formulations as a fragrance component, and in household products such as air fresheners and cleaners to impart a characteristic odor. In industrial manufacturing, it functions as a building block in the synthesis of aroma compounds and specialty chemicals; it can be used as an intermediate in coatings, inks, and polymer formulations to impart scent or as a precursor for further functionalization. The use is typically formulation-specific and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 571.8
    methanol 521.81
    isopropanol 492.87
    water 0.61
    ethyl acetate 1131.35
    n-propanol 590.43
    acetone 1050.6
    n-butanol 621.42
    acetonitrile 764.08
    DMF 862.05
    toluene 760.62
    isobutanol 440.47
    1,4-dioxane 1131.73
    methyl acetate 891.39
    THF 2199.66
    2-butanone 1077.45
    n-pentanol 339.63
    sec-butanol 479.13
    n-hexane 229.69
    ethylene glycol 85.03
    NMP 1106.26
    cyclohexane 336.08
    DMSO 850.91
    n-butyl acetate 1033.33
    n-octanol 258.49
    chloroform 2692.47
    n-propyl acetate 689.9
    acetic acid 516.87
    dichloromethane 1993.12
    cyclohexanone 1466.57
    propylene glycol 172.81
    isopropyl acetate 762.31
    DMAc 641.44
    2-ethoxyethanol 450.95
    isopentanol 556.3
    n-heptane 119.72
    ethyl formate 605.78
    1,2-dichloroethane 1473.55
    n-hexanol 590.4
    2-methoxyethanol 730.34
    isobutyl acetate 418.33
    tetrachloromethane 719.84
    n-pentyl acetate 482.85
    transcutol 2418.06
    n-heptanol 277.47
    ethylbenzene 399.57
    MIBK 599.27
    2-propoxyethanol 834.11
    tert-butanol 647.61
    MTBE 894.87
    2-butoxyethanol 491.0
    propionic acid 596.2
    o-xylene 468.01
    formic acid 188.1
    diethyl ether 947.0
    m-xylene 540.34
    p-xylene 478.27
    chlorobenzene 1157.35
    dimethyl carbonate 333.19
    n-octane 39.78
    formamide 312.48
    cyclopentanone 1805.64
    2-pentanone 981.39
    anisole 707.48
    cyclopentyl methyl ether 1091.48
    gamma-butyrolactone 1967.75
    1-methoxy-2-propanol 694.59
    pyridine 1195.46
    3-pentanone 785.0
    furfural 1573.82
    n-dodecane 20.51
    diethylene glycol 430.05
    diisopropyl ether 395.0
    tert-amyl alcohol 584.13
    acetylacetone 944.32
    n-hexadecane 25.24
    acetophenone 595.2
    methyl propionate 811.55
    isopentyl acetate 884.24
    trichloroethylene 2855.19
    n-nonanol 229.41
    cyclohexanol 639.6
    benzyl alcohol 427.57
    2-ethylhexanol 425.15
    isooctanol 238.74
    dipropyl ether 583.1
    1,2-dichlorobenzene 1059.44
    ethyl lactate 286.79
    propylene carbonate 1079.41
    n-methylformamide 676.79
    2-pentanol 454.39
    n-pentane 179.6
    1-propoxy-2-propanol 772.5
    1-methoxy-2-propyl acetate 967.99
    2-(2-methoxypropoxy) propanol 488.7
    mesitylene 375.98
    ε-caprolactone 1272.31
    p-cymene 294.44
    epichlorohydrin 1939.76
    1,1,1-trichloroethane 1870.79
    2-aminoethanol 254.07
    morpholine-4-carbaldehyde 1063.38
    sulfolane 1865.79
    2,2,4-trimethylpentane 91.06
    2-methyltetrahydrofuran 1543.52
    n-hexyl acetate 666.99
    isooctane 86.81
    2-(2-butoxyethoxy)ethanol 705.85
    sec-butyl acetate 507.92
    tert-butyl acetate 879.13
    decalin 154.74
    glycerin 212.42
    diglyme 1169.8
    acrylic acid 479.32
    isopropyl myristate 243.51
    n-butyric acid 917.93
    acetyl acetate 634.63
    di(2-ethylhexyl) phthalate 221.97
    ethyl propionate 652.27
    nitromethane 1036.97
    1,2-diethoxyethane 898.17
    benzonitrile 736.96
    trioctyl phosphate 160.68
    1-bromopropane 972.04
    gamma-valerolactone 1849.7
    n-decanol 160.97
    triethyl phosphate 275.01
    4-methyl-2-pentanol 303.41
    propionitrile 748.32
    vinylene carbonate 904.82
    1,1,2-trichlorotrifluoroethane 1107.59
    DMS 570.32
    cumene 273.94
    2-octanol 182.99
    2-hexanone 634.23
    octyl acetate 299.83
    limonene 407.72
    1,2-dimethoxyethane 815.56
    ethyl orthosilicate 297.65
    tributyl phosphate 238.1
    diacetone alcohol 730.65
    N,N-dimethylaniline 443.78
    acrylonitrile 812.58
    aniline 818.39
    1,3-propanediol 380.86
    bromobenzene 1255.79
    dibromomethane 1531.8
    1,1,2,2-tetrachloroethane 2205.36
    2-methyl-cyclohexyl acetate 475.71
    tetrabutyl urea 252.01
    diisobutyl methanol 278.58
    2-phenylethanol 555.8
    styrene 503.76
    dioctyl adipate 335.87
    dimethyl sulfate 485.86
    ethyl butyrate 667.78
    methyl lactate 346.91
    butyl lactate 438.55
    diethyl carbonate 427.91
    propanediol butyl ether 461.38
    triethyl orthoformate 481.73
    p-tert-butyltoluene 305.09
    methyl 4-tert-butylbenzoate 496.04
    morpholine 1319.09
    tert-butylamine 541.94
    n-dodecanol 114.35
    dimethoxymethane 704.9
    ethylene carbonate 767.34
    cyrene 393.72
    2-ethoxyethyl acetate 667.59
    2-ethylhexyl acetate 722.6
    1,2,4-trichlorobenzene 1193.01
    4-methylpyridine 1274.64
    dibutyl ether 441.28
    2,6-dimethyl-4-heptanol 278.58
    DEF 785.27
    dimethyl isosorbide 922.04
    tetrachloroethylene 1521.65
    eugenol 433.12
    triacetin 584.27
    span 80 432.55
    1,4-butanediol 140.59
    1,1-dichloroethane 1646.22
    2-methyl-1-pentanol 337.77
    methyl formate 508.37
    2-methyl-1-butanol 485.49
    n-decane 44.95
    butyronitrile 815.9
    3,7-dimethyl-1-octanol 354.42
    1-chlorooctane 237.75
    1-chlorotetradecane 74.22
    n-nonane 47.61
    undecane 29.22
    tert-butylcyclohexane 142.43
    cyclooctane 130.97
    cyclopentanol 656.56
    tetrahydropyran 1439.13
    tert-amyl methyl ether 628.44
    2,5,8-trioxanonane 694.33
    1-hexene 512.94
    2-isopropoxyethanol 366.43
    2,2,2-trifluoroethanol 245.04
    methyl butyrate 762.84

    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