2-Methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal

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  • Identifiers

    CAS number
    19009-53-1

    Molecular formula
    C13H22O

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

    Safety labels

  • Odor profile

    Fragrance
    Green 74.28%
    Floral 67.57%
    Aldehydic 66.51%
    Fresh 56.8%
    Citrus 52.03%
    Muguet 47.65%
    Lily 45.56%
    Ozone 45.37%
    Waxy 38.61%
    Melon 34.72%

     

    Flavor
    Herbal 65.41%
    Spicy 44.48%
    Green 39.74%
    Spice 38.33%
    Fresh 37.48%
    Woody 36.73%
    Herb 34.21%
    Floral 33.45%
    Oily 28.2%
    Mint 25.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.92 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 109.5 ˚C est.

  • Synonyms

    • 19009-53-1
    • 2-methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal
    • 4-Isopropyl-alpha-methylcyclohexene-1-propan-1-al
    • EINECS 242-744-0
    • SCHEMBL14836426
    • DTXSID20940550
    • NS00053698
    • 2-methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal

  • Applications

    2-Methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal (CAS 19009-53-1) is used primarily as an aroma compound in perfumery and flavor applications, and can function as a building block or intermediate for the synthesis of more complex fragrance materials. It may also find use in cosmetics and personal care formulations as a fragrance ingredient, and in household products and air freshening products for scent impartation. In coatings, inks, and adhesives, it can serve as a fragrance additive or odorant component to customize product aroma. As with many terpene-derived aldehydes, its use is typically subject to regulatory and formulation limits and may be evaluated for various industrial fragrance and flavor applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2318.48
    methanol 1188.33
    isopropanol 2435.69
    water 0.16
    ethyl acetate 3153.95
    n-propanol 1883.41
    acetone 2582.92
    n-butanol 1837.86
    acetonitrile 1744.72
    DMF 1213.29
    toluene 969.51
    isobutanol 1268.88
    1,4-dioxane 3092.14
    methyl acetate 1836.55
    THF 3126.88
    2-butanone 2268.6
    n-pentanol 831.09
    sec-butanol 1361.29
    n-hexane 181.41
    ethylene glycol 99.3
    NMP 552.95
    cyclohexane 298.35
    DMSO 822.93
    n-butyl acetate 1808.58
    n-octanol 293.71
    chloroform 3154.02
    n-propyl acetate 1142.36
    acetic acid 649.22
    dichloromethane 2836.2
    cyclohexanone 1847.15
    propylene glycol 236.59
    isopropyl acetate 1754.43
    DMAc 775.47
    2-ethoxyethanol 938.74
    isopentanol 1520.23
    n-heptane 98.28
    ethyl formate 938.35
    1,2-dichloroethane 1986.89
    n-hexanol 1245.85
    2-methoxyethanol 1764.64
    isobutyl acetate 692.44
    tetrachloromethane 483.18
    n-pentyl acetate 607.68
    transcutol 4408.23
    n-heptanol 342.33
    ethylbenzene 361.83
    MIBK 1072.41
    2-propoxyethanol 1671.95
    tert-butanol 2457.7
    MTBE 2903.95
    2-butoxyethanol 651.66
    propionic acid 668.25
    o-xylene 417.23
    formic acid 115.7
    diethyl ether 3273.93
    m-xylene 611.04
    p-xylene 404.75
    chlorobenzene 861.19
    dimethyl carbonate 294.74
    n-octane 38.62
    formamide 226.34
    cyclopentanone 1682.82
    2-pentanone 2075.23
    anisole 682.71
    cyclopentyl methyl ether 1494.78
    gamma-butyrolactone 1455.37
    1-methoxy-2-propanol 1549.36
    pyridine 1612.78
    3-pentanone 1158.44
    furfural 1049.69
    n-dodecane 23.29
    diethylene glycol 700.86
    diisopropyl ether 767.86
    tert-amyl alcohol 1217.4
    acetylacetone 1456.14
    n-hexadecane 28.11
    acetophenone 488.32
    methyl propionate 1317.76
    isopentyl acetate 1442.12
    trichloroethylene 3023.13
    n-nonanol 247.99
    cyclohexanol 1055.13
    benzyl alcohol 475.02
    2-ethylhexanol 603.77
    isooctanol 295.09
    dipropyl ether 1019.11
    1,2-dichlorobenzene 640.39
    ethyl lactate 280.17
    propylene carbonate 814.81
    n-methylformamide 607.43
    2-pentanol 1298.67
    n-pentane 205.91
    1-propoxy-2-propanol 1404.32
    1-methoxy-2-propyl acetate 1408.5
    2-(2-methoxypropoxy) propanol 557.45
    mesitylene 334.62
    ε-caprolactone 1424.23
    p-cymene 223.83
    epichlorohydrin 2300.48
    1,1,1-trichloroethane 1972.35
    2-aminoethanol 370.89
    morpholine-4-carbaldehyde 1109.39
    sulfolane 960.47
    2,2,4-trimethylpentane 79.11
    2-methyltetrahydrofuran 2558.54
    n-hexyl acetate 755.51
    isooctane 94.61
    2-(2-butoxyethoxy)ethanol 934.75
    sec-butyl acetate 835.38
    tert-butyl acetate 1458.74
    decalin 107.3
    glycerin 248.58
    diglyme 1738.76
    acrylic acid 362.45
    isopropyl myristate 260.01
    n-butyric acid 1620.57
    acetyl acetate 975.08
    di(2-ethylhexyl) phthalate 198.97
    ethyl propionate 879.49
    nitromethane 1100.75
    1,2-diethoxyethane 2111.82
    benzonitrile 714.47
    trioctyl phosphate 142.8
    1-bromopropane 1674.12
    gamma-valerolactone 2044.61
    n-decanol 176.72
    triethyl phosphate 236.11
    4-methyl-2-pentanol 644.71
    propionitrile 1492.31
    vinylene carbonate 691.84
    1,1,2-trichlorotrifluoroethane 872.64
    DMS 507.67
    cumene 223.64
    2-octanol 223.54
    2-hexanone 1033.83
    octyl acetate 296.76
    limonene 365.96
    1,2-dimethoxyethane 1636.57
    ethyl orthosilicate 274.21
    tributyl phosphate 202.11
    diacetone alcohol 1067.06
    N,N-dimethylaniline 347.28
    acrylonitrile 1105.08
    aniline 908.2
    1,3-propanediol 816.53
    bromobenzene 952.8
    dibromomethane 2103.97
    1,1,2,2-tetrachloroethane 2102.12
    2-methyl-cyclohexyl acetate 482.75
    tetrabutyl urea 214.23
    diisobutyl methanol 365.18
    2-phenylethanol 575.81
    styrene 461.04
    dioctyl adipate 320.19
    dimethyl sulfate 281.81
    ethyl butyrate 969.39
    methyl lactate 332.8
    butyl lactate 391.58
    diethyl carbonate 495.81
    propanediol butyl ether 516.01
    triethyl orthoformate 532.45
    p-tert-butyltoluene 228.7
    methyl 4-tert-butylbenzoate 390.9
    morpholine 3518.66
    tert-butylamine 1625.06
    n-dodecanol 132.48
    dimethoxymethane 1288.38
    ethylene carbonate 648.6
    cyrene 324.64
    2-ethoxyethyl acetate 986.51
    2-ethylhexyl acetate 962.63
    1,2,4-trichlorobenzene 703.45
    4-methylpyridine 1706.97
    dibutyl ether 664.69
    2,6-dimethyl-4-heptanol 365.18
    DEF 1367.9
    dimethyl isosorbide 831.59
    tetrachloroethylene 1259.84
    eugenol 362.81
    triacetin 554.99
    span 80 428.89
    1,4-butanediol 211.61
    1,1-dichloroethane 2580.85
    2-methyl-1-pentanol 677.55
    methyl formate 394.98
    2-methyl-1-butanol 1123.95
    n-decane 48.26
    butyronitrile 1804.97
    3,7-dimethyl-1-octanol 363.83
    1-chlorooctane 239.86
    1-chlorotetradecane 79.89
    n-nonane 48.55
    undecane 31.99
    tert-butylcyclohexane 106.03
    cyclooctane 85.6
    cyclopentanol 848.83
    tetrahydropyran 3519.86
    tert-amyl methyl ether 1214.77
    2,5,8-trioxanonane 886.67
    1-hexene 753.43
    2-isopropoxyethanol 747.88
    2,2,2-trifluoroethanol 163.55
    methyl butyrate 1171.77

    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