4,6-Dimethylcyclohex-3-ene-1-carbaldehyde

  • Identifiers

    CAS number
    36635-35-5

    Molecular formula
    C9H14O

    SMILES
    CC1CC(=CCC1C=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 91.14%
    Herbal 70.44%
    Aldehydic 62.07%
    Floral 56.92%
    Leafy 55.22%
    Citrus 50.93%
    Fresh 50.8%
    Cortex 45.83%
    Woody 40.25%
    Spicy 36.43%

     

    Flavor
    Minty 42.13%
    Spice 41.52%
    Spicy 39.1%
    Mint 36.85%
    Herbal 36.45%
    Sweet 36.35%
    Fruity 32.09%
    Fresh 30.93%
    Green 30.8%
    Cherry 24.52%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.03 (weak base)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    191°C

    Flash point

    • 80.06 ˚C est.

  • Synonyms

    • 4,6-Dimethylcyclohex-3-ene-1-carbaldehyde
    • 36635-35-5
    • EINECS 253-139-6
    • AI3-07326
    • DTXSID60893056
    • 3-Cyclohexene-1-carboxaldehyde, 4,6-dimethyl-
    • 4,6-Dimethyl-3-cyclohexene-1-carboxaldehyde
    • SCHEMBL231189
    • DTXCID501323000
    • STL371301
    • AKOS006241605
    • 4,6-dimethyl-3-cyclohexenecaboxaldehyde
    • 4,6-dimethyl-3-cyclohexenecarboxaldehyde
    • CS-0360241
    • NS00057482
    • 253-139-6
  • Applications

    4,6-Dimethylcyclohex-3-ene-1-carbaldehyde (CAS 36635-35-5) is primarily used as a chemical intermediate and building block in fragrance chemistry, where it can serve as a fragrance ingredient or a precursor for the synthesis of more complex aroma molecules. It may also be evaluated for flavor applications as a flavor precursor or aroma component, and can be incorporated into cosmetics and personal care formulations to contribute to fragrance profiles. In industrial manufacturing, it acts as a reactive aldehyde intermediate for the synthesis of cyclohexene derivatives and related specialty chemicals; it may also be used in household products and in coatings/inks as a scent additive, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1183.33
    methanol 710.15
    isopropanol 924.91
    water 1.31
    ethyl acetate 1861.76
    n-propanol 941.29
    acetone 2040.28
    n-butanol 828.03
    acetonitrile 1747.76
    DMF 1101.14
    toluene 521.52
    isobutanol 650.89
    1,4-dioxane 2334.57
    methyl acetate 1425.19
    THF 3231.47
    2-butanone 1590.28
    n-pentanol 399.9
    sec-butanol 633.57
    n-hexane 68.64
    ethylene glycol 118.09
    NMP 1183.86
    cyclohexane 176.27
    DMSO 1325.23
    n-butyl acetate 1009.14
    n-octanol 224.16
    chloroform 3197.44
    n-propyl acetate 654.95
    acetic acid 993.86
    dichloromethane 3231.19
    cyclohexanone 1915.7
    propylene glycol 176.86
    isopropyl acetate 881.18
    DMAc 562.18
    2-ethoxyethanol 530.4
    isopentanol 710.75
    n-heptane 66.04
    ethyl formate 796.03
    1,2-dichloroethane 1915.41
    n-hexanol 623.73
    2-methoxyethanol 992.35
    isobutyl acetate 362.38
    tetrachloromethane 448.05
    n-pentyl acetate 403.73
    transcutol 3385.72
    n-heptanol 226.65
    ethylbenzene 196.63
    MIBK 631.68
    2-propoxyethanol 952.43
    tert-butanol 868.43
    MTBE 932.13
    2-butoxyethanol 430.75
    propionic acid 845.8
    o-xylene 254.12
    formic acid 247.51
    diethyl ether 1481.15
    m-xylene 339.4
    p-xylene 252.64
    chlorobenzene 863.48
    dimethyl carbonate 340.77
    n-octane 24.33
    formamide 448.73
    cyclopentanone 2371.0
    2-pentanone 1256.24
    anisole 483.93
    cyclopentyl methyl ether 1196.11
    gamma-butyrolactone 2623.97
    1-methoxy-2-propanol 769.15
    pyridine 1408.58
    3-pentanone 837.69
    furfural 1389.66
    n-dodecane 19.7
    diethylene glycol 547.28
    diisopropyl ether 339.14
    tert-amyl alcohol 565.41
    acetylacetone 1202.13
    n-hexadecane 23.23
    acetophenone 374.33
    methyl propionate 1071.29
    isopentyl acetate 777.69
    trichloroethylene 3419.6
    n-nonanol 188.12
    cyclohexanol 742.2
    benzyl alcohol 321.16
    2-ethylhexanol 330.88
    isooctanol 180.35
    dipropyl ether 511.56
    1,2-dichlorobenzene 650.66
    ethyl lactate 202.74
    propylene carbonate 1124.38
    n-methylformamide 778.25
    2-pentanol 551.39
    n-pentane 92.99
    1-propoxy-2-propanol 678.63
    1-methoxy-2-propyl acetate 863.92
    2-(2-methoxypropoxy) propanol 427.6
    mesitylene 206.9
    ε-caprolactone 1450.9
    p-cymene 151.63
    epichlorohydrin 2686.82
    1,1,1-trichloroethane 1878.41
    2-aminoethanol 277.78
    morpholine-4-carbaldehyde 1179.08
    sulfolane 1751.76
    2,2,4-trimethylpentane 43.18
    2-methyltetrahydrofuran 2283.95
    n-hexyl acetate 624.45
    isooctane 45.57
    2-(2-butoxyethoxy)ethanol 724.77
    sec-butyl acetate 417.01
    tert-butyl acetate 785.58
    decalin 61.42
    glycerin 235.2
    diglyme 1287.09
    acrylic acid 611.34
    isopropyl myristate 201.63
    n-butyric acid 1262.86
    acetyl acetate 848.15
    di(2-ethylhexyl) phthalate 172.33
    ethyl propionate 562.8
    nitromethane 1956.6
    1,2-diethoxyethane 1068.56
    benzonitrile 610.8
    trioctyl phosphate 124.68
    1-bromopropane 1106.66
    gamma-valerolactone 2260.62
    n-decanol 136.67
    triethyl phosphate 171.5
    4-methyl-2-pentanol 294.06
    propionitrile 1124.69
    vinylene carbonate 934.7
    1,1,2-trichlorotrifluoroethane 876.3
    DMS 467.36
    cumene 132.36
    2-octanol 146.06
    2-hexanone 607.7
    octyl acetate 253.88
    limonene 243.2
    1,2-dimethoxyethane 915.11
    ethyl orthosilicate 174.85
    tributyl phosphate 178.76
    diacetone alcohol 679.22
    N,N-dimethylaniline 220.81
    acrylonitrile 1126.68
    aniline 629.28
    1,3-propanediol 520.4
    bromobenzene 914.56
    dibromomethane 2059.23
    1,1,2,2-tetrachloroethane 1995.88
    2-methyl-cyclohexyl acetate 345.81
    tetrabutyl urea 184.55
    diisobutyl methanol 198.95
    2-phenylethanol 416.15
    styrene 268.2
    dioctyl adipate 275.07
    dimethyl sulfate 408.64
    ethyl butyrate 589.68
    methyl lactate 283.8
    butyl lactate 278.1
    diethyl carbonate 327.87
    propanediol butyl ether 391.92
    triethyl orthoformate 325.83
    p-tert-butyltoluene 146.87
    methyl 4-tert-butylbenzoate 318.4
    morpholine 2526.65
    tert-butylamine 551.85
    n-dodecanol 101.45
    dimethoxymethane 898.37
    ethylene carbonate 812.31
    cyrene 310.67
    2-ethoxyethyl acetate 687.62
    2-ethylhexyl acetate 544.7
    1,2,4-trichlorobenzene 723.24
    4-methylpyridine 1258.89
    dibutyl ether 399.41
    2,6-dimethyl-4-heptanol 198.95
    DEF 941.37
    dimethyl isosorbide 761.11
    tetrachloroethylene 1267.08
    eugenol 313.05
    triacetin 488.8
    span 80 371.39
    1,4-butanediol 147.11
    1,1-dichloroethane 2230.66
    2-methyl-1-pentanol 364.84
    methyl formate 632.91
    2-methyl-1-butanol 575.94
    n-decane 34.98
    butyronitrile 1125.95
    3,7-dimethyl-1-octanol 234.43
    1-chlorooctane 184.12
    1-chlorotetradecane 65.73
    n-nonane 34.29
    undecane 25.41
    tert-butylcyclohexane 55.54
    cyclooctane 52.04
    cyclopentanol 864.57
    tetrahydropyran 2402.89
    tert-amyl methyl ether 507.73
    2,5,8-trioxanonane 702.16
    1-hexene 273.11
    2-isopropoxyethanol 396.48
    2,2,2-trifluoroethanol 318.56
    methyl butyrate 712.23

    Scent© AI

1 of 4
Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
0.45 % Category 7A
Rinse-off products applied to the hair with some hand contact
5.2 %
Category 2
Products applied to the axillae
0.14 % Category 7B
Leave-on products applied to the hair with some hand contact
5.2 %
Category 3
Products applied to the face/body using fingertips
2.7 % Category 8
Products with significant anogenital exposure
0.27 %
Category 4
Products related to fine fragrance
2.5 % Category 9
Products with body and hand exposure, primarily rinse off
4.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
0.64 % Category 10A
Household care products with mostly hand contact
18 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
0.64 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
18 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
0.64 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
9.8 %
Category 5D
Baby Creams, baby Oils and baby talc
0.64 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
9.8 %
Category 6
Products with oral and lip exposure
1.5 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
No restriction