2,4,6-Trimethylcyclohex-3-ene-1-carbaldehyde;3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde

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  • Identifiers

    CAS number
    1335-66-6

    Molecular formula
    C20H32O2

    SMILES
    CC1CC(=CC(C1C=O)C)C.CC1C=C(CC(C1C)C=O)C

  • Odor profile

    Fragrance
    Green 93.75%
    Herbal 72.56%
    Leafy 58.2%
    Woody 58.11%
    Floral 54.25%
    Aldehydic 50.06%
    Fresh 49.12%
    Cortex 46.27%
    Citrus 43.1%
    Earthy 41.19%

     

    Flavor
    Sweet 50.47%
    Minty 42.52%
    Spicy 41.68%
    Herbal 40.71%
    Spice 40.47%
    Mint 37.03%
    Fruity 36.79%
    Woody 35.01%
    Fresh 31.88%
    Floral 29.79%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    8.29 (weak base)

    Molecular weight
    304.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 89.57 ˚C est.

  • Synonyms

    • 1335-66-6
    • 2,4,6-Trimethylcyclohex-3-ene-1-carbaldehyde;3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
    • EINECS 215-638-7
    • iso-CYCLOCITRAL
    • SCHEMBL314360
    • CHEBI:171934
    • Isocyclocitral(mixture of isomers)
    • BCP29793
    • iso-CycloCitral;2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde; 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde

  • Applications

    2,4,6-Trimethylcyclohex-3-ene-1-carbaldehyde;3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde (CAS 1335-66-6) is primarily used as an aroma ingredient and odorant in perfumery and cosmetics; serves as an intermediate in the synthesis of fragrance compounds and related aroma materials in industrial manufacturing; is applied in household and personal care formulations to augment fragrance notes; and functions as an intermediate for coatings, inks, and polymer formulations where aroma characteristics are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2020.77
    methanol 1785.52
    isopropanol 1365.36
    water 2.14
    ethyl acetate 2686.33
    n-propanol 1603.44
    acetone 3258.98
    n-butanol 1333.31
    acetonitrile 3055.14
    DMF 1700.7
    toluene 1142.29
    isobutanol 1009.86
    1,4-dioxane 4136.85
    methyl acetate 2122.89
    THF 6295.89
    2-butanone 2342.39
    n-pentanol 628.26
    sec-butanol 996.51
    n-hexane 164.25
    ethylene glycol 186.39
    NMP 2130.15
    cyclohexane 499.08
    DMSO 1929.61
    n-butyl acetate 1532.78
    n-octanol 326.12
    chloroform 4348.04
    n-propyl acetate 846.1
    acetic acid 1631.71
    dichloromethane 4641.08
    cyclohexanone 3434.07
    propylene glycol 247.35
    isopropyl acetate 1214.4
    DMAc 723.47
    2-ethoxyethanol 741.44
    isopentanol 1043.56
    n-heptane 152.68
    ethyl formate 1336.27
    1,2-dichloroethane 3012.22
    n-hexanol 1145.04
    2-methoxyethanol 1651.44
    isobutyl acetate 472.4
    tetrachloromethane 770.86
    n-pentyl acetate 628.44
    transcutol 3554.06
    n-heptanol 339.64
    ethylbenzene 318.11
    MIBK 876.34
    2-propoxyethanol 1513.32
    tert-butanol 1192.56
    MTBE 1421.42
    2-butoxyethanol 577.03
    propionic acid 1190.66
    o-xylene 450.28
    formic acid 462.74
    diethyl ether 2606.67
    m-xylene 647.73
    p-xylene 372.27
    chlorobenzene 1417.79
    dimethyl carbonate 482.03
    n-octane 45.62
    formamide 734.06
    cyclopentanone 4119.84
    2-pentanone 1945.27
    anisole 638.29
    cyclopentyl methyl ether 2572.81
    gamma-butyrolactone 4530.94
    1-methoxy-2-propanol 1156.84
    pyridine 2380.9
    3-pentanone 1271.81
    furfural 2119.6
    n-dodecane 32.18
    diethylene glycol 837.81
    diisopropyl ether 547.86
    tert-amyl alcohol 798.72
    acetylacetone 1621.18
    n-hexadecane 38.93
    acetophenone 479.59
    methyl propionate 1596.82
    isopentyl acetate 1118.67
    trichloroethylene 4823.58
    n-nonanol 269.38
    cyclohexanol 1427.78
    benzyl alcohol 438.82
    2-ethylhexanol 502.51
    isooctanol 256.13
    dipropyl ether 795.24
    1,2-dichlorobenzene 1008.99
    ethyl lactate 234.46
    propylene carbonate 1788.46
    n-methylformamide 1372.39
    2-pentanol 880.47
    n-pentane 243.74
    1-propoxy-2-propanol 955.39
    1-methoxy-2-propyl acetate 1189.54
    2-(2-methoxypropoxy) propanol 453.51
    mesitylene 357.36
    ε-caprolactone 2438.71
    p-cymene 236.59
    epichlorohydrin 4525.63
    1,1,1-trichloroethane 2751.54
    2-aminoethanol 447.56
    morpholine-4-carbaldehyde 1805.29
    sulfolane 2912.87
    2,2,4-trimethylpentane 80.33
    2-methyltetrahydrofuran 4595.29
    n-hexyl acetate 909.38
    isooctane 81.86
    2-(2-butoxyethoxy)ethanol 764.19
    sec-butyl acetate 524.09
    tert-butyl acetate 1108.01
    decalin 118.64
    glycerin 283.48
    diglyme 1419.33
    acrylic acid 921.81
    isopropyl myristate 273.69
    n-butyric acid 1806.98
    acetyl acetate 1161.78
    di(2-ethylhexyl) phthalate 212.39
    ethyl propionate 718.46
    nitromethane 2940.46
    1,2-diethoxyethane 1375.04
    benzonitrile 948.27
    trioctyl phosphate 172.45
    1-bromopropane 1855.91
    gamma-valerolactone 3803.98
    n-decanol 186.22
    triethyl phosphate 221.04
    4-methyl-2-pentanol 412.68
    propionitrile 1770.87
    vinylene carbonate 1451.81
    1,1,2-trichlorotrifluoroethane 1253.55
    DMS 645.4
    cumene 195.49
    2-octanol 221.91
    2-hexanone 829.73
    octyl acetate 349.82
    limonene 422.58
    1,2-dimethoxyethane 1319.46
    ethyl orthosilicate 236.9
    tributyl phosphate 240.36
    diacetone alcohol 923.04
    N,N-dimethylaniline 293.45
    acrylonitrile 1717.03
    aniline 1024.62
    1,3-propanediol 802.29
    bromobenzene 1542.89
    dibromomethane 3087.14
    1,1,2,2-tetrachloroethane 2624.65
    2-methyl-cyclohexyl acetate 464.08
    tetrabutyl urea 255.29
    diisobutyl methanol 270.19
    2-phenylethanol 617.62
    styrene 408.66
    dioctyl adipate 325.49
    dimethyl sulfate 593.58
    ethyl butyrate 776.95
    methyl lactate 376.69
    butyl lactate 349.64
    diethyl carbonate 405.84
    propanediol butyl ether 447.15
    triethyl orthoformate 435.62
    p-tert-butyltoluene 224.06
    methyl 4-tert-butylbenzoate 402.12
    morpholine 4218.87
    tert-butylamine 798.89
    n-dodecanol 137.61
    dimethoxymethane 1635.32
    ethylene carbonate 1344.42
    cyrene 360.97
    2-ethoxyethyl acetate 977.57
    2-ethylhexyl acetate 823.34
    1,2,4-trichlorobenzene 1051.91
    4-methylpyridine 2187.61
    dibutyl ether 569.0
    2,6-dimethyl-4-heptanol 270.19
    DEF 1374.46
    dimethyl isosorbide 938.9
    tetrachloroethylene 1873.27
    eugenol 364.03
    triacetin 544.32
    span 80 408.46
    1,4-butanediol 214.63
    1,1-dichloroethane 3173.75
    2-methyl-1-pentanol 503.03
    methyl formate 1192.07
    2-methyl-1-butanol 936.81
    n-decane 59.58
    butyronitrile 1901.24
    3,7-dimethyl-1-octanol 322.97
    1-chlorooctane 295.89
    1-chlorotetradecane 98.51
    n-nonane 61.66
    undecane 42.15
    tert-butylcyclohexane 103.18
    cyclooctane 133.17
    cyclopentanol 1566.43
    tetrahydropyran 4786.88
    tert-amyl methyl ether 812.54
    2,5,8-trioxanonane 742.94
    1-hexene 506.02
    2-isopropoxyethanol 501.68
    2,2,2-trifluoroethanol 498.29
    methyl butyrate 903.44

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.54 % Category 7A
Rinse-off products applied to the hair with some hand contact
 6.1 %
Category 2
Products applied to the axillae
 0.16 % Category 7B
Leave-on products applied to the hair with some hand contact
 6.1 %
Category 3
Products applied to the face/body using fingertips
 3.2 % Category 8
Products with significant anogenital exposure
 0.32 %
Category 4
Products related to fine fragrance
 3 % Category 9
Products with body and hand exposure, primarily rinse off
 5.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.76 % Category 10A
Household care products with mostly hand contact
 21 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.76 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 21 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.76 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 12 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.76 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 12 %
Category 6
Products with oral and lip exposure
 1.8 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction