1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde

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  • Identifiers

    CAS number
    66327-54-6

    Molecular formula
    C14H24O

    SMILES
    CC(C)CCCC1=CCC(CC1)(C)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 69.3%
    Aldehydic 68.33%
    Citrus 64.71%
    Fresh 56.72%
    Floral 52.41%
    Ozone 46.26%
    Herbal 41.62%
    Muguet 41.12%
    Waxy 40.21%
    Fatty 35.28%

     

    Flavor
    Herbal 51.09%
    Woody 49.41%
    Floral 36.84%
    Spicy 35.06%
    Fresh 34.09%
    Spice 33.53%
    Citrus 32.7%
    Wood 30.77%
    Fruity 29.6%
    Green 28.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.01 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 119.18 ˚C est.

  • Synonyms

    • Vernaldehyde
    • 66327-54-6
    • 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
    • 1-Methyl-4-(4-methylpentyl)-3-cyclohexene-1-carboxaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methylpentyl)-
    • DTXSID9052345
    • EINECS 266-314-7
    • green carbaldehyde
    • 1-Formyl-1-methyl-4-(4-methylpentyl)-3-cyclohexene
    • SCHEMBL229453
    • Vernaldehyde (Sum of isomers)
    • DTXCID9030917
    • TRIS(2-ETHYLHEXYL)CITRATE
    • MVTYXAVPKZRAMW-UHFFFAOYSA-N
    • RCA32754
    • NS00013331
    • 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-carbaldehyde
    • 266-314-7

  • Applications

    The compound 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde (CAS 66327-54-6) is primarily used as an odorant and fragrance ingredient in perfumery and personal care products, contributing distinct aromatic notes; it is commonly evaluated as a synthesis intermediate for aroma compounds in the flavor and fragrance industry; it can be used in cosmetics and skincare formulations as a fragrance component; it may serve as a scent additive in household cleaning products and air fresheners; in industrial manufacturing it is used as a synthesis intermediate for aroma chemicals, and it may be incorporated as a fragrance additive in polymers/plastics and coatings, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2330.86
    methanol 1089.09
    isopropanol 2156.47
    water 0.11
    ethyl acetate 4435.2
    n-propanol 1847.31
    acetone 2013.86
    n-butanol 2052.01
    acetonitrile 1664.33
    DMF 981.98
    toluene 1517.89
    isobutanol 1231.07
    1,4-dioxane 3480.21
    methyl acetate 2023.54
    THF 3372.7
    2-butanone 2689.31
    n-pentanol 1063.5
    sec-butanol 1650.82
    n-hexane 378.43
    ethylene glycol 58.99
    NMP 430.29
    cyclohexane 539.23
    DMSO 514.59
    n-butyl acetate 2858.84
    n-octanol 445.85
    chloroform 3371.92
    n-propyl acetate 1882.72
    acetic acid 654.33
    dichloromethane 2778.06
    cyclohexanone 2040.11
    propylene glycol 194.85
    isopropyl acetate 2825.43
    DMAc 896.01
    2-ethoxyethanol 1174.95
    isopentanol 1809.54
    n-heptane 199.91
    ethyl formate 1147.56
    1,2-dichloroethane 2005.59
    n-hexanol 1634.27
    2-methoxyethanol 1867.83
    isobutyl acetate 1224.75
    tetrachloromethane 528.8
    n-pentyl acetate 1029.46
    transcutol 6365.35
    n-heptanol 504.87
    ethylbenzene 675.84
    MIBK 1596.34
    2-propoxyethanol 2059.81
    tert-butanol 2356.43
    MTBE 4063.74
    2-butoxyethanol 913.97
    propionic acid 663.63
    o-xylene 673.81
    formic acid 106.06
    diethyl ether 4658.55
    m-xylene 956.43
    p-xylene 737.36
    chlorobenzene 1137.21
    dimethyl carbonate 376.79
    n-octane 70.47
    formamide 220.69
    cyclopentanone 1457.36
    2-pentanone 2595.06
    anisole 1254.91
    cyclopentyl methyl ether 1750.47
    gamma-butyrolactone 1335.33
    1-methoxy-2-propanol 1765.23
    pyridine 2253.8
    3-pentanone 1532.16
    furfural 1169.55
    n-dodecane 38.9
    diethylene glycol 656.69
    diisopropyl ether 1322.57
    tert-amyl alcohol 1591.05
    acetylacetone 1821.92
    n-hexadecane 46.96
    acetophenone 840.56
    methyl propionate 1661.75
    isopentyl acetate 2521.01
    trichloroethylene 3151.9
    n-nonanol 405.9
    cyclohexanol 1116.79
    benzyl alcohol 684.07
    2-ethylhexanol 948.12
    isooctanol 480.41
    dipropyl ether 1792.1
    1,2-dichlorobenzene 911.88
    ethyl lactate 415.33
    propylene carbonate 999.21
    n-methylformamide 554.29
    2-pentanol 1626.49
    n-pentane 368.94
    1-propoxy-2-propanol 1868.0
    1-methoxy-2-propyl acetate 2171.84
    2-(2-methoxypropoxy) propanol 943.83
    mesitylene 568.16
    ε-caprolactone 1840.94
    p-cymene 392.43
    epichlorohydrin 2279.26
    1,1,1-trichloroethane 2214.79
    2-aminoethanol 297.27
    morpholine-4-carbaldehyde 1231.72
    sulfolane 708.12
    2,2,4-trimethylpentane 145.41
    2-methyltetrahydrofuran 2905.07
    n-hexyl acetate 1294.84
    isooctane 167.57
    2-(2-butoxyethoxy)ethanol 1446.68
    sec-butyl acetate 1653.42
    tert-butyl acetate 2406.9
    decalin 211.13
    glycerin 214.99
    diglyme 2602.3
    acrylic acid 342.68
    isopropyl myristate 476.02
    n-butyric acid 2050.29
    acetyl acetate 1509.6
    di(2-ethylhexyl) phthalate 319.72
    ethyl propionate 1639.91
    nitromethane 1063.6
    1,2-diethoxyethane 3410.52
    benzonitrile 1025.04
    trioctyl phosphate 216.11
    1-bromopropane 1954.28
    gamma-valerolactone 2156.03
    n-decanol 281.59
    triethyl phosphate 419.56
    4-methyl-2-pentanol 907.44
    propionitrile 1709.8
    vinylene carbonate 858.73
    1,1,2-trichlorotrifluoroethane 869.61
    DMS 772.18
    cumene 415.68
    2-octanol 346.69
    2-hexanone 1587.38
    octyl acetate 499.48
    limonene 597.42
    1,2-dimethoxyethane 2412.36
    ethyl orthosilicate 482.48
    tributyl phosphate 330.53
    diacetone alcohol 1461.36
    N,N-dimethylaniline 628.81
    acrylonitrile 1263.46
    aniline 1125.9
    1,3-propanediol 771.31
    bromobenzene 1321.47
    dibromomethane 2120.11
    1,1,2,2-tetrachloroethane 2398.76
    2-methyl-cyclohexyl acetate 857.63
    tetrabutyl urea 339.17
    diisobutyl methanol 601.68
    2-phenylethanol 899.91
    styrene 866.71
    dioctyl adipate 570.2
    dimethyl sulfate 279.33
    ethyl butyrate 1824.54
    methyl lactate 381.4
    butyl lactate 591.54
    diethyl carbonate 946.4
    propanediol butyl ether 636.5
    triethyl orthoformate 1006.12
    p-tert-butyltoluene 410.71
    methyl 4-tert-butylbenzoate 675.57
    morpholine 4083.59
    tert-butylamine 1897.38
    n-dodecanol 205.76
    dimethoxymethane 1483.81
    ethylene carbonate 836.88
    cyrene 414.0
    2-ethoxyethyl acetate 1485.28
    2-ethylhexyl acetate 1737.1
    1,2,4-trichlorobenzene 965.93
    4-methylpyridine 2435.74
    dibutyl ether 1255.2
    2,6-dimethyl-4-heptanol 601.68
    DEF 1942.35
    dimethyl isosorbide 1310.74
    tetrachloroethylene 1398.69
    eugenol 581.56
    triacetin 894.07
    span 80 684.94
    1,4-butanediol 201.08
    1,1-dichloroethane 2566.59
    2-methyl-1-pentanol 971.84
    methyl formate 326.25
    2-methyl-1-butanol 1371.96
    n-decane 85.77
    butyronitrile 2453.36
    3,7-dimethyl-1-octanol 670.41
    1-chlorooctane 376.78
    1-chlorotetradecane 126.53
    n-nonane 87.75
    undecane 54.6
    tert-butylcyclohexane 211.61
    cyclooctane 175.03
    cyclopentanol 695.79
    tetrahydropyran 4334.64
    tert-amyl methyl ether 1914.67
    2,5,8-trioxanonane 1489.0
    1-hexene 1340.12
    2-isopropoxyethanol 959.39
    2,2,2-trifluoroethanol 149.72
    methyl butyrate 2008.48

    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