2-Cyclohexylideneacetaldehyde

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  • Identifiers

    CAS number
    1713-63-9

    Molecular formula
    C8H12O

    SMILES
    C1CCC(=CC=O)CC1

  • Odor profile

    Fragrance
    Fruity 73.41%
    Green 67.74%
    Aldehydic 51.05%
    Floral 49.29%
    Fatty 47.24%
    Sweet 46.41%
    Fresh 41.88%
    Waxy 39.17%
    Herbal 34.69%
    Melon 33.95%

     

    Flavor
    Fatty 42.58%
    Sweet 38.53%
    Cherry 33.78%
    Spice 33.07%
    Spicy 33.0%
    Green 32.27%
    Cinnamon 30.02%
    Fat 28.34%
    Oily 28.23%
    Fruity 25.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.78 (neutral)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    207°C

    Flash point

    • 78.5 ˚C est.

  • Synonyms

    • 2-cyclohexylideneacetaldehyde
    • 1713-63-9
    • cyclohexylideneacetaldehyde
    • DTXSID40456047
    • Cyclohexyliden-acetaldehyd
    • cyclohexylidene acetaldehyde
    • 2-cyclohexylidene-acetaldehyde
    • SCHEMBL1307852
    • DTXCID00406866
    • WJMVPTHPBIDWHB-UHFFFAOYSA-N
    • BAA71363
    • AKOS022504464
    • CS-0232205
    • EN300-126589
    • Z1251356876

  • Applications

    2-Cyclohexylideneacetaldehyde (CAS 1713-63-9) is predominantly used as an organic‑synthesis building block, enabling introduction of a cyclohexylidene unit and providing a reactive enal for aldol-type condensations and related transformations. In the fragrance and cosmetics sectors, it is employed as a fragrance intermediate or sourcing material for the preparation of cyclohexylidene‑containing aroma compounds, under formulation controls. It can also serve as a precursor for specialty polymers and resins, functioning as a reactive aldehyde building block in polymerization or resin-forming routes. In pharmaceutical development, it may be evaluated as an intermediate for the synthesis of cyclohexylidene‑containing pharmaceutical scaffolds. Overall, use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 519.45
    methanol 409.9
    isopropanol 423.43
    water 0.46
    ethyl acetate 1173.28
    n-propanol 442.74
    acetone 1553.28
    n-butanol 392.54
    acetonitrile 931.92
    DMF 1538.39
    toluene 362.7
    isobutanol 303.02
    1,4-dioxane 1308.64
    methyl acetate 968.17
    THF 1797.02
    2-butanone 1059.42
    n-pentanol 194.47
    sec-butanol 320.43
    n-hexane 51.8
    ethylene glycol 134.99
    NMP 1244.12
    cyclohexane 156.36
    DMSO 1701.31
    n-butyl acetate 568.69
    n-octanol 129.81
    chloroform 2589.1
    n-propyl acetate 402.71
    acetic acid 673.15
    dichloromethane 2619.51
    cyclohexanone 1446.35
    propylene glycol 174.53
    isopropyl acetate 501.73
    DMAc 651.46
    2-ethoxyethanol 290.37
    isopentanol 303.09
    n-heptane 57.31
    ethyl formate 561.26
    1,2-dichloroethane 1800.34
    n-hexanol 317.83
    2-methoxyethanol 677.45
    isobutyl acetate 213.93
    tetrachloromethane 315.88
    n-pentyl acetate 259.44
    transcutol 1754.86
    n-heptanol 127.83
    ethylbenzene 159.23
    MIBK 359.65
    2-propoxyethanol 521.04
    tert-butanol 420.96
    MTBE 361.27
    2-butoxyethanol 263.82
    propionic acid 639.83
    o-xylene 196.61
    formic acid 173.42
    diethyl ether 667.59
    m-xylene 237.79
    p-xylene 188.07
    chlorobenzene 733.79
    dimethyl carbonate 327.92
    n-octane 21.78
    formamide 353.7
    cyclopentanone 1998.37
    2-pentanone 869.96
    anisole 333.28
    cyclopentyl methyl ether 724.51
    gamma-butyrolactone 2244.23
    1-methoxy-2-propanol 568.72
    pyridine 1276.12
    3-pentanone 661.2
    furfural 1254.17
    n-dodecane 17.07
    diethylene glycol 365.74
    diisopropyl ether 157.08
    tert-amyl alcohol 267.34
    acetylacetone 968.66
    n-hexadecane 19.86
    acetophenone 308.07
    methyl propionate 829.67
    isopentyl acetate 385.35
    trichloroethylene 3055.65
    n-nonanol 116.19
    cyclohexanol 418.89
    benzyl alcohol 227.21
    2-ethylhexanol 177.57
    isooctanol 104.72
    dipropyl ether 327.67
    1,2-dichlorobenzene 590.49
    ethyl lactate 158.59
    propylene carbonate 928.55
    n-methylformamide 784.75
    2-pentanol 266.76
    n-pentane 61.12
    1-propoxy-2-propanol 411.28
    1-methoxy-2-propyl acetate 523.55
    2-(2-methoxypropoxy) propanol 275.89
    mesitylene 148.79
    ε-caprolactone 994.65
    p-cymene 107.07
    epichlorohydrin 1980.97
    1,1,1-trichloroethane 1395.72
    2-aminoethanol 233.34
    morpholine-4-carbaldehyde 1008.19
    sulfolane 1982.36
    2,2,4-trimethylpentane 24.21
    2-methyltetrahydrofuran 1235.65
    n-hexyl acetate 367.71
    isooctane 24.27
    2-(2-butoxyethoxy)ethanol 410.43
    sec-butyl acetate 240.55
    tert-butyl acetate 434.98
    decalin 48.24
    glycerin 228.62
    diglyme 794.54
    acrylic acid 572.71
    isopropyl myristate 134.06
    n-butyric acid 842.5
    acetyl acetate 607.74
    di(2-ethylhexyl) phthalate 116.35
    ethyl propionate 406.96
    nitromethane 1572.01
    1,2-diethoxyethane 537.36
    benzonitrile 472.45
    trioctyl phosphate 90.03
    1-bromopropane 803.9
    gamma-valerolactone 1666.92
    n-decanol 89.48
    triethyl phosphate 127.74
    4-methyl-2-pentanol 138.97
    propionitrile 737.89
    vinylene carbonate 761.01
    1,1,2-trichlorotrifluoroethane 856.48
    DMS 398.06
    cumene 94.92
    2-octanol 88.25
    2-hexanone 368.22
    octyl acetate 171.5
    limonene 171.27
    1,2-dimethoxyethane 608.98
    ethyl orthosilicate 119.24
    tributyl phosphate 123.44
    diacetone alcohol 445.47
    N,N-dimethylaniline 174.0
    acrylonitrile 904.18
    aniline 431.45
    1,3-propanediol 361.39
    bromobenzene 826.82
    dibromomethane 1597.24
    1,1,2,2-tetrachloroethane 2079.78
    2-methyl-cyclohexyl acetate 216.98
    tetrabutyl urea 151.79
    diisobutyl methanol 127.71
    2-phenylethanol 261.82
    styrene 223.35
    dioctyl adipate 194.84
    dimethyl sulfate 486.67
    ethyl butyrate 380.42
    methyl lactate 287.64
    butyl lactate 199.7
    diethyl carbonate 238.75
    propanediol butyl ether 254.82
    triethyl orthoformate 207.7
    p-tert-butyltoluene 104.29
    methyl 4-tert-butylbenzoate 261.9
    morpholine 1393.53
    tert-butylamine 252.03
    n-dodecanol 70.13
    dimethoxymethane 764.89
    ethylene carbonate 660.63
    cyrene 220.91
    2-ethoxyethyl acetate 423.75
    2-ethylhexyl acetate 283.83
    1,2,4-trichlorobenzene 635.16
    4-methylpyridine 845.94
    dibutyl ether 222.09
    2,6-dimethyl-4-heptanol 127.71
    DEF 728.71
    dimethyl isosorbide 500.71
    tetrachloroethylene 1290.33
    eugenol 241.42
    triacetin 349.62
    span 80 254.19
    1,4-butanediol 107.99
    1,1-dichloroethane 1611.18
    2-methyl-1-pentanol 159.03
    methyl formate 617.93
    2-methyl-1-butanol 257.91
    n-decane 28.09
    butyronitrile 635.5
    3,7-dimethyl-1-octanol 145.83
    1-chlorooctane 129.81
    1-chlorotetradecane 52.15
    n-nonane 28.44
    undecane 21.42
    tert-butylcyclohexane 38.26
    cyclooctane 44.19
    cyclopentanol 571.41
    tetrahydropyran 1405.9
    tert-amyl methyl ether 236.95
    2,5,8-trioxanonane 488.61
    1-hexene 181.2
    2-isopropoxyethanol 213.54
    2,2,2-trifluoroethanol 254.03
    methyl butyrate 502.08

    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