2-Methyl-4-(2,6,6-trimethylcyclohex-2-EN-1-YL)butanal

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  • Identifiers

    CAS number
    73398-85-3

    Molecular formula
    C14H24O

    SMILES
    CC1=CCCC(C1CCC(C)C=O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 66.09%
    Floral 51.55%
    Amber 40.08%
    Dry 39.84%
    Sweet 38.66%
    Aldehydic 38.33%
    Waxy 37.31%
    Violet 37.04%
    Powdery 36.34%
    Sandalwood 35.96%

     

    Flavor
    Woody 64.52%
    Floral 61.25%
    Herbal 45.84%
    Green 45.81%
    Sweet 45.29%
    Citrus 39.54%
    Fruity 38.2%
    Fresh 35.7%
    Wood 32.54%
    Spicy 31.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.92 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 119.65 ˚C est.

  • Synonyms

    • 73398-85-3
    • 2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanal
    • EINECS 277-458-5
    • T2RHF282JD
    • 2-CETONAL
    • 2-Cyclohexene-1-butanal, .alpha.,2,6,6-tetramethyl-
    • 2-Cyclohexene-1-butanal, alpha,2,6,6-tetramethyl-
    • .ALPHA.,2,6,6-TETRAMETHYL-2-CYCLOHEXENE-1-BUTANAL
    • RefChem:475482
    • alpha,2,6,6-Tetramethyl-2-cyclohexene-1-butanal
    • .ALPHA.,2,6,6-TETRAMETHYL-2-CYCLOHEXENE-1-BUTANAL, (+-)-
    • ALPHA,2,6,6-TETRAMETHYL-2-CYCLOHEXENE-1-BUTANAL, (+-)-
    • alpha,2,6,6-Tetramethyl-2-cyclohexene-1-butyraldehyde
    • 2-Cyclohexene-1-butanal,a,2,6,6-tetramethyl-
    • UNII-T2RHF282JD
    • SCHEMBL933394
    • VDBFZEMBBKEKPI-UHFFFAOYSA-N
    • DTXSID801358476
    • NS00059273
    • .ALPHA.,2,6,6-TETRAMETHYL-2-CYCLOHEXENE-1-BUTANAL, (+/-)-
    • 73398-85-3

  • Applications

    2-Methyl-4-(2,6,6-trimethylcyclohex-2-EN-1-YL)butanal (CAS 73398-85-3) is primarily used as an aroma chemical and as an intermediate in fragrance chemistry. In practice, it may serve as a component in perfumery/fragrance formulations, may be evaluated for use as a flavor note in flavor formulations (subject to regulatory constraints), is compatible with cosmetics/personal care formulations, can be incorporated into household products such as cleaners and air fresheners, and may function as an intermediate or additive in coatings/inks and other industrial manufacturing processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1188.3
    methanol 1126.83
    isopropanol 956.02
    water 0.28
    ethyl acetate 2043.93
    n-propanol 1195.69
    acetone 1434.05
    n-butanol 1223.14
    acetonitrile 1178.62
    DMF 1168.95
    toluene 1634.51
    isobutanol 791.88
    1,4-dioxane 2380.93
    methyl acetate 1196.33
    THF 2944.51
    2-butanone 1553.96
    n-pentanol 616.12
    sec-butanol 831.34
    n-hexane 217.02
    ethylene glycol 61.66
    NMP 907.17
    cyclohexane 414.38
    DMSO 695.95
    n-butyl acetate 1643.84
    n-octanol 289.08
    chloroform 3145.95
    n-propyl acetate 990.84
    acetic acid 517.83
    dichloromethane 2644.09
    cyclohexanone 1908.89
    propylene glycol 145.1
    isopropyl acetate 1259.55
    DMAc 761.85
    2-ethoxyethanol 655.48
    isopentanol 983.74
    n-heptane 115.73
    ethyl formate 767.17
    1,2-dichloroethane 1731.74
    n-hexanol 1037.92
    2-methoxyethanol 1194.89
    isobutyl acetate 614.73
    tetrachloromethane 644.71
    n-pentyl acetate 659.73
    transcutol 3832.78
    n-heptanol 352.03
    ethylbenzene 567.76
    MIBK 869.93
    2-propoxyethanol 1315.15
    tert-butanol 1094.97
    MTBE 1744.05
    2-butoxyethanol 644.68
    propionic acid 547.18
    o-xylene 657.61
    formic acid 147.06
    diethyl ether 2296.31
    m-xylene 893.76
    p-xylene 601.55
    chlorobenzene 1409.72
    dimethyl carbonate 338.73
    n-octane 30.56
    formamide 282.43
    cyclopentanone 1673.51
    2-pentanone 1589.86
    anisole 931.32
    cyclopentyl methyl ether 1587.25
    gamma-butyrolactone 1592.77
    1-methoxy-2-propanol 991.56
    pyridine 1965.89
    3-pentanone 1038.12
    furfural 1390.85
    n-dodecane 16.05
    diethylene glycol 500.55
    diisopropyl ether 646.96
    tert-amyl alcohol 882.68
    acetylacetone 1117.49
    n-hexadecane 20.39
    acetophenone 684.19
    methyl propionate 1092.83
    isopentyl acetate 1330.73
    trichloroethylene 3017.5
    n-nonanol 251.24
    cyclohexanol 966.3
    benzyl alcohol 580.75
    2-ethylhexanol 588.18
    isooctanol 309.12
    dipropyl ether 902.44
    1,2-dichlorobenzene 1069.48
    ethyl lactate 263.93
    propylene carbonate 936.01
    n-methylformamide 650.55
    2-pentanol 785.85
    n-pentane 222.12
    1-propoxy-2-propanol 1106.96
    1-methoxy-2-propyl acetate 1377.71
    2-(2-methoxypropoxy) propanol 589.43
    mesitylene 511.06
    ε-caprolactone 1577.75
    p-cymene 332.81
    epichlorohydrin 2218.45
    1,1,1-trichloroethane 1918.31
    2-aminoethanol 249.89
    morpholine-4-carbaldehyde 1303.77
    sulfolane 1159.76
    2,2,4-trimethylpentane 100.01
    2-methyltetrahydrofuran 2356.3
    n-hexyl acetate 814.94
    isooctane 101.0
    2-(2-butoxyethoxy)ethanol 899.34
    sec-butyl acetate 765.92
    tert-butyl acetate 1174.62
    decalin 158.91
    glycerin 173.93
    diglyme 1649.62
    acrylic acid 347.04
    isopropyl myristate 265.11
    n-butyric acid 1172.22
    acetyl acetate 808.58
    di(2-ethylhexyl) phthalate 254.21
    ethyl propionate 811.68
    nitromethane 912.82
    1,2-diethoxyethane 1607.58
    benzonitrile 1000.99
    trioctyl phosphate 163.56
    1-bromopropane 1407.9
    gamma-valerolactone 1995.22
    n-decanol 164.42
    triethyl phosphate 282.65
    4-methyl-2-pentanol 470.41
    propionitrile 1243.85
    vinylene carbonate 857.52
    1,1,2-trichlorotrifluoroethane 920.91
    DMS 585.86
    cumene 334.84
    2-octanol 217.62
    2-hexanone 937.62
    octyl acetate 316.29
    limonene 469.14
    1,2-dimethoxyethane 1378.58
    ethyl orthosilicate 327.33
    tributyl phosphate 235.06
    diacetone alcohol 860.84
    N,N-dimethylaniline 525.48
    acrylonitrile 1067.27
    aniline 1265.37
    1,3-propanediol 498.31
    bromobenzene 1587.88
    dibromomethane 1944.95
    1,1,2,2-tetrachloroethane 2176.64
    2-methyl-cyclohexyl acetate 581.58
    tetrabutyl urea 245.38
    diisobutyl methanol 342.88
    2-phenylethanol 733.36
    styrene 719.25
    dioctyl adipate 354.69
    dimethyl sulfate 367.94
    ethyl butyrate 934.08
    methyl lactate 293.29
    butyl lactate 426.46
    diethyl carbonate 499.83
    propanediol butyl ether 469.3
    triethyl orthoformate 616.42
    p-tert-butyltoluene 335.82
    methyl 4-tert-butylbenzoate 535.14
    morpholine 2783.36
    tert-butylamine 911.58
    n-dodecanol 113.18
    dimethoxymethane 1160.59
    ethylene carbonate 771.42
    cyrene 407.3
    2-ethoxyethyl acetate 974.82
    2-ethylhexyl acetate 1061.05
    1,2,4-trichlorobenzene 1180.28
    4-methylpyridine 2131.97
    dibutyl ether 539.0
    2,6-dimethyl-4-heptanol 342.88
    DEF 1311.63
    dimethyl isosorbide 999.99
    tetrachloroethylene 1440.95
    eugenol 470.27
    triacetin 616.19
    span 80 473.53
    1,4-butanediol 147.12
    1,1-dichloroethane 1968.4
    2-methyl-1-pentanol 587.95
    methyl formate 422.02
    2-methyl-1-butanol 843.4
    n-decane 37.94
    butyronitrile 1467.03
    3,7-dimethyl-1-octanol 375.86
    1-chlorooctane 231.01
    1-chlorotetradecane 64.86
    n-nonane 38.35
    undecane 23.45
    tert-butylcyclohexane 148.13
    cyclooctane 134.73
    cyclopentanol 722.08
    tetrahydropyran 3047.22
    tert-amyl methyl ether 998.81
    2,5,8-trioxanonane 919.84
    1-hexene 710.65
    2-isopropoxyethanol 489.16
    2,2,2-trifluoroethanol 156.42
    methyl butyrate 1026.63

    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