2-Cyclohexylacetaldehyde

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  • Identifiers

    CAS number
    5664-21-1

    Molecular formula
    C8H14O

    SMILES
    C1CCC(CC1)CC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 82.31%
    Fruity 65.13%
    Aldehydic 58.95%
    Fresh 56.21%
    Fatty 45.71%
    Floral 44.39%
    Citrus 43.62%
    Waxy 41.9%
    Melon 39.91%
    Leafy 32.18%

     

    Flavor
    Green 51.79%
    Fatty 37.02%
    Fresh 30.36%
    Fruity 28.2%
    Spicy 24.34%
    Oily 23.59%
    Herbal 23.27%
    Sweet 22.58%
    Leaf 22.12%
    Fat 22.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.36 (neutral)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point

    • 69.98 ˚C est.

  • Synonyms

    • 2-cyclohexylacetaldehyde
    • 5664-21-1
    • cyclohexylacetaldehyde
    • Cyclohexaneacetaldehyde
    • cyclohexyl-acetaldehyde
    • MFCD02261737
    • NSC-244934
    • YYW2A23ZV3
    • cyclohexylmethyl carboxaldehyde
    • DTXSID40311703
    • Cyclohexylacetaldehyde (~90%)
    • 2-Cyclohexylacetaldehyde; Cyclohexylmethyl carboxaldehyde; NSC 244934
    • Aldehydes, 5
    • cyclohexylactaldehyde
    • NSC244934
    • cyclohexyl acetaldehyde
    • cyclohexyl acetoaldehyde
    • 3-cyclohexylacetaldehyde
    • 2-cyclohexyl-acetaldehyde
    • UNII-YYW2A23ZV3
    • SCHEMBL26244
    • CHEMBL1999575
    • BDBM81351
    • DTXCID40262827
    • JJMDTERTPNYIGZ-UHFFFAOYSA-N
    • FAA66421
    • AKOS011895896
    • MB02401
    • AS-19821
    • NCI60_001957
    • SY025196
    • DB-072169
    • EN300-104731
    • AR-527/42754089
    • Z993017728
    • 839-178-7

  • Applications

    2-Cyclohexylacetaldehyde (CAS 5664-21-1) is a versatile building block in fragrance chemistry and related materials applications. In perfumery and cosmetics, it can function as an odorant and fragrance intermediate, contributing warm, aliphatic notes and supporting formulation development within regulatory limits. In the flavor sector, it is sometimes evaluated as an aroma compound or aroma precursor. In industrial manufacturing and polymer science, it provides a cyclohexyl-containing aldehyde fragment that can be used to synthesize specialty monomers and resins, and it may participate in further transformations such as imine or oxime formation. In coatings and inks, it may be incorporated as a fragrance additive or a chemical intermediate for resin formulations, depending on the specific formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1642.06
    methanol 1257.97
    isopropanol 1449.44
    water 0.55
    ethyl acetate 2750.7
    n-propanol 1391.32
    acetone 3909.5
    n-butanol 1319.04
    acetonitrile 2112.52
    DMF 2539.93
    toluene 640.45
    isobutanol 970.47
    1,4-dioxane 2956.28
    methyl acetate 2055.56
    THF 4511.0
    2-butanone 2430.84
    n-pentanol 595.72
    sec-butanol 974.17
    n-hexane 164.69
    ethylene glycol 297.69
    NMP 2068.43
    cyclohexane 437.57
    DMSO 3634.08
    n-butyl acetate 1585.61
    n-octanol 282.27
    chloroform 5217.59
    n-propyl acetate 988.9
    acetic acid 1615.14
    dichloromethane 5422.07
    cyclohexanone 3342.49
    propylene glycol 444.35
    isopropyl acetate 1277.09
    DMAc 984.46
    2-ethoxyethanol 747.98
    isopentanol 978.15
    n-heptane 158.5
    ethyl formate 1449.53
    1,2-dichloroethane 3716.52
    n-hexanol 954.07
    2-methoxyethanol 1823.12
    isobutyl acetate 517.62
    tetrachloromethane 746.17
    n-pentyl acetate 613.36
    transcutol 3540.57
    n-heptanol 306.99
    ethylbenzene 291.24
    MIBK 899.05
    2-propoxyethanol 1356.55
    tert-butanol 1392.58
    MTBE 1063.45
    2-butoxyethanol 613.12
    propionic acid 1596.11
    o-xylene 344.51
    formic acid 391.86
    diethyl ether 1674.51
    m-xylene 428.36
    p-xylene 357.13
    chlorobenzene 1485.04
    dimethyl carbonate 551.28
    n-octane 49.43
    formamide 780.02
    cyclopentanone 4392.49
    2-pentanone 2162.98
    anisole 648.65
    cyclopentyl methyl ether 1753.89
    gamma-butyrolactone 5030.66
    1-methoxy-2-propanol 1511.33
    pyridine 2531.8
    3-pentanone 1403.06
    furfural 2608.17
    n-dodecane 32.52
    diethylene glycol 858.8
    diisopropyl ether 414.19
    tert-amyl alcohol 794.58
    acetylacetone 2208.1
    n-hexadecane 38.93
    acetophenone 563.14
    methyl propionate 1716.63
    isopentyl acetate 1087.51
    trichloroethylene 5950.79
    n-nonanol 248.49
    cyclohexanol 1212.0
    benzyl alcohol 470.53
    2-ethylhexanol 491.99
    isooctanol 252.72
    dipropyl ether 910.48
    1,2-dichlorobenzene 1193.18
    ethyl lactate 342.98
    propylene carbonate 2180.98
    n-methylformamide 1731.43
    2-pentanol 816.47
    n-pentane 170.02
    1-propoxy-2-propanol 1130.7
    1-methoxy-2-propyl acetate 1280.48
    2-(2-methoxypropoxy) propanol 514.9
    mesitylene 269.26
    ε-caprolactone 2264.44
    p-cymene 218.57
    epichlorohydrin 4466.19
    1,1,1-trichloroethane 3017.55
    2-aminoethanol 597.55
    morpholine-4-carbaldehyde 1882.82
    sulfolane 4272.39
    2,2,4-trimethylpentane 59.37
    2-methyltetrahydrofuran 3045.16
    n-hexyl acetate 809.48
    isooctane 60.04
    2-(2-butoxyethoxy)ethanol 831.38
    sec-butyl acetate 578.94
    tert-butyl acetate 1113.61
    decalin 109.9
    glycerin 516.42
    diglyme 1682.38
    acrylic acid 1271.69
    isopropyl myristate 283.46
    n-butyric acid 2452.84
    acetyl acetate 1369.73
    di(2-ethylhexyl) phthalate 222.47
    ethyl propionate 934.28
    nitromethane 3465.93
    1,2-diethoxyethane 1323.42
    benzonitrile 999.51
    trioctyl phosphate 181.99
    1-bromopropane 1809.47
    gamma-valerolactone 3815.42
    n-decanol 182.4
    triethyl phosphate 268.51
    4-methyl-2-pentanol 393.51
    propionitrile 1743.38
    vinylene carbonate 1679.07
    1,1,2-trichlorotrifluoroethane 1807.58
    DMS 695.62
    cumene 183.45
    2-octanol 200.21
    2-hexanone 930.06
    octyl acetate 347.74
    limonene 389.12
    1,2-dimethoxyethane 1465.76
    ethyl orthosilicate 262.28
    tributyl phosphate 260.1
    diacetone alcohol 1092.39
    N,N-dimethylaniline 310.53
    acrylonitrile 2068.26
    aniline 909.76
    1,3-propanediol 1066.09
    bromobenzene 1567.15
    dibromomethane 3352.45
    1,1,2,2-tetrachloroethane 4203.2
    2-methyl-cyclohexyl acetate 497.84
    tetrabutyl urea 299.53
    diisobutyl methanol 313.92
    2-phenylethanol 582.69
    styrene 421.3
    dioctyl adipate 397.95
    dimethyl sulfate 773.37
    ethyl butyrate 1024.73
    methyl lactate 587.76
    butyl lactate 469.27
    diethyl carbonate 586.56
    propanediol butyl ether 529.87
    triethyl orthoformate 544.38
    p-tert-butyltoluene 217.02
    methyl 4-tert-butylbenzoate 471.13
    morpholine 3255.52
    tert-butylamine 837.76
    n-dodecanol 140.63
    dimethoxymethane 1538.85
    ethylene carbonate 1588.83
    cyrene 393.94
    2-ethoxyethyl acetate 888.68
    2-ethylhexyl acetate 767.51
    1,2,4-trichlorobenzene 1208.5
    4-methylpyridine 1813.74
    dibutyl ether 558.48
    2,6-dimethyl-4-heptanol 313.92
    DEF 1568.17
    dimethyl isosorbide 1010.54
    tetrachloroethylene 2634.17
    eugenol 445.77
    triacetin 662.68
    span 80 520.76
    1,4-butanediol 298.21
    1,1-dichloroethane 3558.96
    2-methyl-1-pentanol 434.17
    methyl formate 1291.94
    2-methyl-1-butanol 786.34
    n-decane 57.17
    butyronitrile 1730.9
    3,7-dimethyl-1-octanol 334.42
    1-chlorooctane 272.67
    1-chlorotetradecane 97.38
    n-nonane 59.46
    undecane 42.25
    tert-butylcyclohexane 86.18
    cyclooctane 106.47
    cyclopentanol 1572.17
    tetrahydropyran 3545.45
    tert-amyl methyl ether 618.35
    2,5,8-trioxanonane 902.25
    1-hexene 525.95
    2-isopropoxyethanol 548.61
    2,2,2-trifluoroethanol 588.54
    methyl butyrate 1219.96

    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