3-Cyclohexene-1-carboxaldehyde, 1-methyl-5-(1-methyl-2-propenyl)-

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  • Identifiers

    CAS number
    27238-61-5

    Molecular formula
    C12H18O

    SMILES
    CC(C=C)C1CC(CC=C1)(C)C=O

  • Odor profile

    Fragrance
    Green 78.45%
    Aldehydic 61.42%
    Herbal 52.29%
    Citrus 51.92%
    Fresh 49.32%
    Fruity 39.99%
    Leafy 37.6%
    Spicy 35.73%
    Floral 35.52%
    Ozone 34.05%

     

    Flavor
    Herbal 49.64%
    Spice 47.48%
    Woody 37.15%
    Spicy 36.28%
    Fresh 35.57%
    Green 32.38%
    Mint 32.37%
    Floral 30.49%
    Herb 28.63%
    Oily 25.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.84 (neutral)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 103.07 ˚C est.

  • Synonyms

    • 27238-61-5
    • 3-Cyclohexene-1-carboxaldehyde, 1-methyl-5-(1-methyl-2-propenyl)-
    • SCHEMBL622996
    • DTXSID90949959
    • YQZCYQJHTVEFFA-UHFFFAOYSA-N
    • 5-(BUT-3-EN-2-YL)-1-METHYLCYCLOHEX-3-ENE-1-CARBALDEHYDE

  • Applications

    3-Cyclohexene-1-carboxaldehyde, 1-methyl-5-(1-methyl-2-propenyl)- (CAS 27238-61-5) is principally used as an organic-synthesis intermediate and fragrance-related note. In perfumery and cosmetics, it serves as a fragrance ingredient and building block for aroma materials; in household products it can be used as a scent component in cleaners and detergents. It also functions as a precursor in polymers and plastics chemistry and as a synthetic intermediate in pharmaceutical development, and is encountered in broader industrial manufacturing as a reactive aldehyde for specialty resin and coating formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 912.79
    methanol 417.48
    isopropanol 1095.1
    water 0.38
    ethyl acetate 1374.5
    n-propanol 937.94
    acetone 1159.35
    n-butanol 873.37
    acetonitrile 842.76
    DMF 970.77
    toluene 638.65
    isobutanol 741.53
    1,4-dioxane 1103.0
    methyl acetate 1125.78
    THF 1882.91
    2-butanone 1506.38
    n-pentanol 437.52
    sec-butanol 867.26
    n-hexane 65.48
    ethylene glycol 83.96
    NMP 639.95
    cyclohexane 112.04
    DMSO 755.46
    n-butyl acetate 1047.28
    n-octanol 240.24
    chloroform 2153.11
    n-propyl acetate 704.77
    acetic acid 398.26
    dichloromethane 2013.33
    cyclohexanone 1318.42
    propylene glycol 213.87
    isopropyl acetate 734.97
    DMAc 697.94
    2-ethoxyethanol 471.04
    isopentanol 771.47
    n-heptane 49.86
    ethyl formate 713.22
    1,2-dichloroethane 1192.01
    n-hexanol 763.03
    2-methoxyethanol 829.7
    isobutyl acetate 424.86
    tetrachloromethane 302.51
    n-pentyl acetate 393.89
    transcutol 2061.46
    n-heptanol 255.38
    ethylbenzene 302.59
    MIBK 634.27
    2-propoxyethanol 852.77
    tert-butanol 1057.5
    MTBE 1033.44
    2-butoxyethanol 407.34
    propionic acid 534.57
    o-xylene 345.53
    formic acid 104.82
    diethyl ether 906.9
    m-xylene 453.05
    p-xylene 359.41
    chlorobenzene 725.33
    dimethyl carbonate 288.41
    n-octane 21.27
    formamide 219.24
    cyclopentanone 1465.99
    2-pentanone 1158.66
    anisole 584.92
    cyclopentyl methyl ether 814.17
    gamma-butyrolactone 1411.35
    1-methoxy-2-propanol 828.69
    pyridine 1109.29
    3-pentanone 732.04
    furfural 1046.07
    n-dodecane 16.22
    diethylene glycol 423.74
    diisopropyl ether 278.35
    tert-amyl alcohol 776.08
    acetylacetone 792.86
    n-hexadecane 19.36
    acetophenone 478.64
    methyl propionate 904.87
    isopentyl acetate 846.48
    trichloroethylene 2235.2
    n-nonanol 200.85
    cyclohexanol 592.78
    benzyl alcohol 392.39
    2-ethylhexanol 396.87
    isooctanol 221.59
    dipropyl ether 443.38
    1,2-dichlorobenzene 567.2
    ethyl lactate 250.35
    propylene carbonate 827.01
    n-methylformamide 546.93
    2-pentanol 638.66
    n-pentane 77.86
    1-propoxy-2-propanol 738.92
    1-methoxy-2-propyl acetate 750.15
    2-(2-methoxypropoxy) propanol 397.73
    mesitylene 268.85
    ε-caprolactone 1053.26
    p-cymene 201.57
    epichlorohydrin 1740.5
    1,1,1-trichloroethane 1255.31
    2-aminoethanol 258.09
    morpholine-4-carbaldehyde 782.31
    sulfolane 1055.18
    2,2,4-trimethylpentane 51.36
    2-methyltetrahydrofuran 1486.94
    n-hexyl acetate 556.06
    isooctane 58.3
    2-(2-butoxyethoxy)ethanol 581.34
    sec-butyl acetate 498.65
    tert-butyl acetate 680.26
    decalin 68.2
    glycerin 212.94
    diglyme 933.51
    acrylic acid 348.6
    isopropyl myristate 198.81
    n-butyric acid 918.39
    acetyl acetate 454.18
    di(2-ethylhexyl) phthalate 181.79
    ethyl propionate 604.78
    nitromethane 834.48
    1,2-diethoxyethane 760.21
    benzonitrile 651.52
    trioctyl phosphate 134.08
    1-bromopropane 897.11
    gamma-valerolactone 1413.59
    n-decanol 152.82
    triethyl phosphate 185.99
    4-methyl-2-pentanol 377.72
    propionitrile 865.63
    vinylene carbonate 691.88
    1,1,2-trichlorotrifluoroethane 681.52
    DMS 389.1
    cumene 207.69
    2-octanol 185.38
    2-hexanone 685.29
    octyl acetate 243.15
    limonene 277.38
    1,2-dimethoxyethane 819.59
    ethyl orthosilicate 183.04
    tributyl phosphate 177.09
    diacetone alcohol 658.2
    N,N-dimethylaniline 314.65
    acrylonitrile 871.39
    aniline 598.07
    1,3-propanediol 460.61
    bromobenzene 787.58
    dibromomethane 1355.55
    1,1,2,2-tetrachloroethane 1424.71
    2-methyl-cyclohexyl acetate 377.52
    tetrabutyl urea 197.8
    diisobutyl methanol 251.22
    2-phenylethanol 458.21
    styrene 373.17
    dioctyl adipate 268.23
    dimethyl sulfate 350.6
    ethyl butyrate 609.18
    methyl lactate 303.8
    butyl lactate 311.84
    diethyl carbonate 338.27
    propanediol butyl ether 423.44
    triethyl orthoformate 313.66
    p-tert-butyltoluene 202.91
    methyl 4-tert-butylbenzoate 371.98
    morpholine 1403.65
    tert-butylamine 686.64
    n-dodecanol 112.28
    dimethoxymethane 715.7
    ethylene carbonate 573.5
    cyrene 307.52
    2-ethoxyethyl acetate 533.64
    2-ethylhexyl acetate 598.42
    1,2,4-trichlorobenzene 646.65
    4-methylpyridine 1175.83
    dibutyl ether 319.36
    2,6-dimethyl-4-heptanol 251.22
    DEF 801.88
    dimethyl isosorbide 685.83
    tetrachloroethylene 816.37
    eugenol 336.81
    triacetin 441.08
    span 80 345.56
    1,4-butanediol 149.74
    1,1-dichloroethane 1650.57
    2-methyl-1-pentanol 422.53
    methyl formate 438.15
    2-methyl-1-butanol 669.64
    n-decane 29.02
    butyronitrile 1032.49
    3,7-dimethyl-1-octanol 297.96
    1-chlorooctane 170.97
    1-chlorotetradecane 58.33
    n-nonane 28.57
    undecane 21.14
    tert-butylcyclohexane 69.83
    cyclooctane 42.09
    cyclopentanol 634.58
    tetrahydropyran 1456.32
    tert-amyl methyl ether 599.9
    2,5,8-trioxanonane 576.85
    1-hexene 335.13
    2-isopropoxyethanol 391.72
    2,2,2-trifluoroethanol 140.48
    methyl butyrate 788.04

    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