alpha,4-Dimethyl-1-cyclohexene-1-acetaldehyde

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  • Identifiers

    CAS number
    71855-42-0

    Molecular formula
    C10H16O

    SMILES
    CC1CCC(=CC1)C(C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 70.17%
    Aldehydic 57.46%
    Floral 56.38%
    Herbal 53.48%
    Fresh 53.0%
    Citrus 47.84%
    Ozone 38.59%
    Leafy 35.15%
    Muguet 33.88%
    Woody 33.49%

     

    Flavor
    Herbal 36.43%
    Green 33.65%
    Spicy 32.86%
    Spice 31.77%
    Floral 31.01%
    Fresh 29.96%
    Fatty 29.22%
    Mint 28.85%
    Oily 26.8%
    Fruity 25.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.35 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    209°C

    Flash point

    • 87.36 ˚C est.

  • Synonyms

    • 71855-42-0
    • RefChem:318124
    • alpha,4-Dimethyl-1-cyclohexene-1-acetaldehyde
    • p-Menth-3-en-9-al
    • 2-(4-METHYLCYCLOHEX-1-EN-1-YL)PROPANAL
    • SCHEMBL9188325
    • CHEBI:171926
    • SPXGCTAVKRKSKR-UHFFFAOYSA-N
    • DTXSID401269512
    • 2-(4-methylcyclohexen-1-yl)propanal
    • Cyclohexene-1-acetaldehyde, .alpha.-4-dimethyl
    • I+/-,4-Dimethyl-1-cyclohexene-1-acetaldehyde
    • a,4-Dimethyl-1-cyclohexene-1-acetaldehyde, 9CI
    • 71855-42-0

  • Applications

    Chemical name: alpha,4-Dimethyl-1-cyclohexene-1-acetaldehyde; CAS 71855-42-0. In perfumery, it can serve as an odorant and fragrance intermediate; in cosmetics/personal care, it may function as a fragrance ingredient; in household products, it may be used as a fragrance additive; in industrial manufacturing, it is used as an intermediate to synthesize other chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1122.92
    methanol 888.27
    isopropanol 998.91
    water 0.53
    ethyl acetate 1469.74
    n-propanol 1045.31
    acetone 1456.98
    n-butanol 911.4
    acetonitrile 1604.57
    DMF 1113.56
    toluene 813.68
    isobutanol 677.97
    1,4-dioxane 1924.45
    methyl acetate 1261.97
    THF 1624.89
    2-butanone 1531.58
    n-pentanol 472.6
    sec-butanol 729.8
    n-hexane 74.77
    ethylene glycol 125.44
    NMP 789.47
    cyclohexane 164.45
    DMSO 1181.54
    n-butyl acetate 1046.81
    n-octanol 192.81
    chloroform 3090.72
    n-propyl acetate 675.61
    acetic acid 674.91
    dichloromethane 2658.33
    cyclohexanone 1521.69
    propylene glycol 216.1
    isopropyl acetate 623.63
    DMAc 591.99
    2-ethoxyethanol 516.86
    isopentanol 730.52
    n-heptane 46.49
    ethyl formate 790.65
    1,2-dichloroethane 1681.4
    n-hexanol 677.87
    2-methoxyethanol 988.92
    isobutyl acetate 346.39
    tetrachloromethane 520.38
    n-pentyl acetate 366.89
    transcutol 2990.7
    n-heptanol 212.59
    ethylbenzene 311.33
    MIBK 463.93
    2-propoxyethanol 842.15
    tert-butanol 961.94
    MTBE 799.97
    2-butoxyethanol 396.93
    propionic acid 745.2
    o-xylene 365.87
    formic acid 205.97
    diethyl ether 1075.2
    m-xylene 435.04
    p-xylene 355.72
    chlorobenzene 1018.79
    dimethyl carbonate 259.96
    n-octane 15.63
    formamide 397.58
    cyclopentanone 1461.21
    2-pentanone 1085.37
    anisole 585.71
    cyclopentyl methyl ether 822.71
    gamma-butyrolactone 1523.24
    1-methoxy-2-propanol 750.71
    pyridine 1886.74
    3-pentanone 711.37
    furfural 1343.27
    n-dodecane 10.26
    diethylene glycol 450.39
    diisopropyl ether 244.61
    tert-amyl alcohol 602.39
    acetylacetone 820.87
    n-hexadecane 12.69
    acetophenone 460.05
    methyl propionate 850.32
    isopentyl acetate 740.85
    trichloroethylene 3126.08
    n-nonanol 157.13
    cyclohexanol 692.07
    benzyl alcohol 455.0
    2-ethylhexanol 362.51
    isooctanol 179.23
    dipropyl ether 425.68
    1,2-dichlorobenzene 738.74
    ethyl lactate 199.59
    propylene carbonate 780.62
    n-methylformamide 811.87
    2-pentanol 562.55
    n-pentane 85.23
    1-propoxy-2-propanol 655.25
    1-methoxy-2-propyl acetate 696.84
    2-(2-methoxypropoxy) propanol 393.63
    mesitylene 236.8
    ε-caprolactone 1188.51
    p-cymene 173.66
    epichlorohydrin 1905.16
    1,1,1-trichloroethane 1660.58
    2-aminoethanol 332.12
    morpholine-4-carbaldehyde 1010.59
    sulfolane 1138.0
    2,2,4-trimethylpentane 37.02
    2-methyltetrahydrofuran 1530.82
    n-hexyl acetate 489.85
    isooctane 36.51
    2-(2-butoxyethoxy)ethanol 608.38
    sec-butyl acetate 424.83
    tert-butyl acetate 531.46
    decalin 61.76
    glycerin 240.16
    diglyme 1190.91
    acrylic acid 519.79
    isopropyl myristate 156.57
    n-butyric acid 1109.01
    acetyl acetate 552.93
    di(2-ethylhexyl) phthalate 163.46
    ethyl propionate 533.55
    nitromethane 1357.11
    1,2-diethoxyethane 985.66
    benzonitrile 849.43
    trioctyl phosphate 103.73
    1-bromopropane 1023.08
    gamma-valerolactone 1715.49
    n-decanol 110.71
    triethyl phosphate 164.26
    4-methyl-2-pentanol 269.46
    propionitrile 1138.54
    vinylene carbonate 759.93
    1,1,2-trichlorotrifluoroethane 883.98
    DMS 400.35
    cumene 178.47
    2-octanol 134.81
    2-hexanone 671.2
    octyl acetate 192.12
    limonene 252.76
    1,2-dimethoxyethane 954.97
    ethyl orthosilicate 173.71
    tributyl phosphate 147.39
    diacetone alcohol 541.11
    N,N-dimethylaniline 287.99
    acrylonitrile 1249.33
    aniline 923.54
    1,3-propanediol 545.03
    bromobenzene 1042.49
    dibromomethane 1781.65
    1,1,2,2-tetrachloroethane 2025.29
    2-methyl-cyclohexyl acetate 312.45
    tetrabutyl urea 163.79
    diisobutyl methanol 200.1
    2-phenylethanol 486.19
    styrene 431.47
    dioctyl adipate 229.85
    dimethyl sulfate 310.48
    ethyl butyrate 569.23
    methyl lactate 269.35
    butyl lactate 275.14
    diethyl carbonate 335.66
    propanediol butyl ether 354.55
    triethyl orthoformate 319.15
    p-tert-butyltoluene 163.78
    methyl 4-tert-butylbenzoate 316.24
    morpholine 2166.52
    tert-butylamine 624.47
    n-dodecanol 79.94
    dimethoxymethane 668.64
    ethylene carbonate 621.08
    cyrene 275.48
    2-ethoxyethyl acetate 592.52
    2-ethylhexyl acetate 541.83
    1,2,4-trichlorobenzene 843.04
    4-methylpyridine 1552.97
    dibutyl ether 306.45
    2,6-dimethyl-4-heptanol 200.1
    DEF 875.81
    dimethyl isosorbide 615.14
    tetrachloroethylene 1351.11
    eugenol 313.78
    triacetin 410.23
    span 80 327.73
    1,4-butanediol 163.06
    1,1-dichloroethane 1877.89
    2-methyl-1-pentanol 401.79
    methyl formate 533.24
    2-methyl-1-butanol 614.92
    n-decane 20.41
    butyronitrile 1137.39
    3,7-dimethyl-1-octanol 235.71
    1-chlorooctane 136.21
    1-chlorotetradecane 41.68
    n-nonane 20.26
    undecane 13.89
    tert-butylcyclohexane 56.01
    cyclooctane 46.35
    cyclopentanol 653.48
    tetrahydropyran 1912.45
    tert-amyl methyl ether 437.48
    2,5,8-trioxanonane 664.99
    1-hexene 349.81
    2-isopropoxyethanol 381.17
    2,2,2-trifluoroethanol 199.93
    methyl butyrate 761.58

    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