4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E)-

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  • Identifiers

    CAS number
    1449104-34-0

    Molecular formula
    C13H22O

    SMILES
    CC(C/C(=C/C1CCCCC1)/C)C=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 67.87%
    Aldehydic 63.63%
    Green 55.65%
    Fresh 53.53%
    Citrus 50.86%
    Waxy 46.85%
    Muguet 45.84%
    Ozone 45.08%
    Fruity 43.65%
    Lily 41.95%

     

    Flavor
    Herbal 50.39%
    Floral 44.53%
    Spicy 40.56%
    Fresh 37.91%
    Green 35.43%
    Woody 33.49%
    Spice 30.0%
    Citrus 28.01%
    Fruity 27.3%
    Waxy 27.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.55 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 112.43 ˚C est.

  • Synonyms

    • DTXSID201021053
    • 1449104-34-0
    • SCHEMBL15173093
    • SCHEMBL15173094
    • DTXCID801506104
    • (E)-5-cyclohexyl-2,4-dimethylpent-4-enal
    • 4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E)-
    • 4-aPentenal, 5-acyclohexyl-a2,a4-adimethyl-a, (4E)a-
    • Muguissimo

  • Applications

    4-Pentenal, 5-cyclohexyl-2,4-dimethyl-, (4E) (CAS 1449104-34-0) is primarily used as an intermediate in the synthesis of fragrance and flavor compounds. In perfumery and cosmetics, it may serve as a fragrance ingredient or odorant, contributing to specific scent profiles. It can be explored for incorporation in household products and cleaning formulations to impart characteristic aroma, and in industrial manufacturing as a precursor to aroma-related intermediates. The use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2792.87
    methanol 2413.42
    isopropanol 2974.58
    water 0.08
    ethyl acetate 3543.61
    n-propanol 2557.34
    acetone 4121.18
    n-butanol 2537.14
    acetonitrile 2598.58
    DMF 1998.17
    toluene 1550.2
    isobutanol 1739.93
    1,4-dioxane 3191.17
    methyl acetate 2110.91
    THF 4253.99
    2-butanone 3040.19
    n-pentanol 1370.89
    sec-butanol 1937.91
    n-hexane 530.09
    ethylene glycol 139.22
    NMP 1011.41
    cyclohexane 673.03
    DMSO 1574.18
    n-butyl acetate 2629.59
    n-octanol 480.25
    chloroform 4838.85
    n-propyl acetate 1669.55
    acetic acid 974.26
    dichloromethane 4104.39
    cyclohexanone 3032.28
    propylene glycol 315.69
    isopropyl acetate 2235.56
    DMAc 1055.87
    2-ethoxyethanol 1253.84
    isopentanol 2122.13
    n-heptane 225.98
    ethyl formate 1302.12
    1,2-dichloroethane 2937.94
    n-hexanol 1822.81
    2-methoxyethanol 2232.17
    isobutyl acetate 1015.76
    tetrachloromethane 823.31
    n-pentyl acetate 1082.77
    transcutol 5220.87
    n-heptanol 533.77
    ethylbenzene 616.78
    MIBK 1591.59
    2-propoxyethanol 2164.11
    tert-butanol 2874.68
    MTBE 3476.52
    2-butoxyethanol 940.91
    propionic acid 984.5
    o-xylene 630.06
    formic acid 175.61
    diethyl ether 4204.85
    m-xylene 897.94
    p-xylene 640.14
    chlorobenzene 1465.81
    dimethyl carbonate 402.82
    n-octane 73.35
    formamide 300.37
    cyclopentanone 2606.34
    2-pentanone 3337.98
    anisole 1002.63
    cyclopentyl methyl ether 2380.01
    gamma-butyrolactone 2221.01
    1-methoxy-2-propanol 1908.73
    pyridine 2449.15
    3-pentanone 1716.7
    furfural 1672.63
    n-dodecane 39.24
    diethylene glycol 872.6
    diisopropyl ether 1048.79
    tert-amyl alcohol 1719.69
    acetylacetone 1911.76
    n-hexadecane 48.27
    acetophenone 744.49
    methyl propionate 1678.74
    isopentyl acetate 2091.97
    trichloroethylene 4580.88
    n-nonanol 401.9
    cyclohexanol 1752.33
    benzyl alcohol 737.22
    2-ethylhexanol 980.75
    isooctanol 471.34
    dipropyl ether 1640.56
    1,2-dichlorobenzene 1045.87
    ethyl lactate 406.53
    propylene carbonate 1294.55
    n-methylformamide 937.24
    2-pentanol 1851.95
    n-pentane 449.24
    1-propoxy-2-propanol 1839.21
    1-methoxy-2-propyl acetate 1683.79
    2-(2-methoxypropoxy) propanol 701.09
    mesitylene 517.94
    ε-caprolactone 2132.42
    p-cymene 349.84
    epichlorohydrin 3207.72
    1,1,1-trichloroethane 2969.49
    2-aminoethanol 495.34
    morpholine-4-carbaldehyde 1570.49
    sulfolane 1700.26
    2,2,4-trimethylpentane 140.47
    2-methyltetrahydrofuran 3617.98
    n-hexyl acetate 1242.87
    isooctane 154.41
    2-(2-butoxyethoxy)ethanol 1181.55
    sec-butyl acetate 1186.52
    tert-butyl acetate 1852.96
    decalin 207.09
    glycerin 335.68
    diglyme 2219.08
    acrylic acid 593.47
    isopropyl myristate 397.89
    n-butyric acid 2378.77
    acetyl acetate 1175.59
    di(2-ethylhexyl) phthalate 297.66
    ethyl propionate 1265.1
    nitromethane 1543.39
    1,2-diethoxyethane 2513.9
    benzonitrile 1238.1
    trioctyl phosphate 222.49
    1-bromopropane 2642.68
    gamma-valerolactone 2859.16
    n-decanol 280.4
    triethyl phosphate 332.05
    4-methyl-2-pentanol 889.38
    propionitrile 2329.96
    vinylene carbonate 1078.24
    1,1,2-trichlorotrifluoroethane 1437.23
    DMS 662.29
    cumene 355.95
    2-octanol 371.77
    2-hexanone 1765.09
    octyl acetate 448.87
    limonene 591.96
    1,2-dimethoxyethane 2322.65
    ethyl orthosilicate 379.17
    tributyl phosphate 321.01
    diacetone alcohol 1392.28
    N,N-dimethylaniline 515.33
    acrylonitrile 1796.6
    aniline 1365.01
    1,3-propanediol 1038.08
    bromobenzene 1622.95
    dibromomethane 3136.24
    1,1,2,2-tetrachloroethane 3297.54
    2-methyl-cyclohexyl acetate 684.38
    tetrabutyl urea 342.68
    diisobutyl methanol 547.22
    2-phenylethanol 823.53
    styrene 847.06
    dioctyl adipate 493.37
    dimethyl sulfate 419.67
    ethyl butyrate 1327.11
    methyl lactate 457.62
    butyl lactate 616.56
    diethyl carbonate 678.13
    propanediol butyl ether 738.37
    triethyl orthoformate 747.22
    p-tert-butyltoluene 342.05
    methyl 4-tert-butylbenzoate 556.78
    morpholine 3853.73
    tert-butylamine 1963.3
    n-dodecanol 202.2
    dimethoxymethane 1854.3
    ethylene carbonate 1041.8
    cyrene 449.93
    2-ethoxyethyl acetate 1393.35
    2-ethylhexyl acetate 1443.47
    1,2,4-trichlorobenzene 1122.91
    4-methylpyridine 2608.48
    dibutyl ether 1122.16
    2,6-dimethyl-4-heptanol 547.22
    DEF 1998.96
    dimethyl isosorbide 1075.69
    tetrachloroethylene 2115.97
    eugenol 526.62
    triacetin 768.05
    span 80 612.01
    1,4-butanediol 326.34
    1,1-dichloroethane 3776.95
    2-methyl-1-pentanol 1099.52
    methyl formate 653.1
    2-methyl-1-butanol 1683.1
    n-decane 87.4
    butyronitrile 2981.27
    3,7-dimethyl-1-octanol 585.98
    1-chlorooctane 422.38
    1-chlorotetradecane 127.41
    n-nonane 92.86
    undecane 55.55
    tert-butylcyclohexane 196.74
    cyclooctane 192.0
    cyclopentanol 1321.22
    tetrahydropyran 4548.63
    tert-amyl methyl ether 1715.67
    2,5,8-trioxanonane 1128.04
    1-hexene 1726.19
    2-isopropoxyethanol 1013.4
    2,2,2-trifluoroethanol 233.11
    methyl butyrate 1756.92

    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