3,6-Dimethyl-3-cyclohexene carboxaldehyde

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  • Identifiers

    CAS number
    67801-65-4

    Molecular formula
    C9H14O

    SMILES
    CC1CC=C(CC1C=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 90.66%
    Herbal 73.26%
    Aldehydic 60.68%
    Leafy 55.39%
    Citrus 53.22%
    Fresh 49.3%
    Cortex 45.12%
    Floral 43.22%
    Spicy 40.25%
    Woody 35.91%

     

    Flavor
    Spice 42.11%
    Minty 39.81%
    Spicy 39.17%
    Mint 36.36%
    Green 35.89%
    Herbal 35.57%
    Sweet 34.77%
    Fatty 30.72%
    Fresh 30.04%
    Fruity 29.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.98 (neutral)

    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

    • 73.86 ˚C est.

  • Synonyms

    • 3,6-Dimethylcyclohex-3-ene-1-carbaldehyde
    • 67801-65-4
    • 3,6-Dimethyl-3-cyclohexene-1-carboxaldehyde
    • 3,6-ivy carbaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 3,6-dimethyl-
    • UNII-ZRP3G6XO6V
    • ZRP3G6XO6V
    • 3,6-Dimethyl-3-cyclohexene carboxaldehyde
    • EINECS 267-186-5
    • NSC-26486
    • DTXSID1052377
    • NSC 26486
    • FEMA NO. 4505, 3,6-DIMETHYL-
    • .DELTA.3-CYCLOHEXENEALDEHYDE, 3,6-DIMETHYL-
    • (+/-)-3,6-DIMETHYL-3-CYCLOHEXENE CARBOXALDEHYDE
    • cyclovertal
    • NSC26486
    • SCHEMBL541820
    • DTXCID1030949
    • YLGCZMOAYIGIPX-UHFFFAOYSA-N
    • AKOS006230346
    • 3-Cyclohexene-1-carboxaldehyde,6-dimethyl-
    • NS00012277
    • DELTA3-CYCLOHEXENEALDEHYDE, 3,6-DIMETHYL-
    • Q27295863

  • Applications

    3,6-Dimethyl-3-cyclohexene carboxaldehyde (CAS 67801-65-4) is primarily used as an aroma chemical and fragrance intermediate in perfumery, contributing green and woody notes to formulations; it may also be employed in cosmetics and personal care as a fragrance ingredient, and in household products as a fragrance component for air fresheners, cleaners, and detergents; the compound can be evaluated for use in flavor formulations as an aroma intermediate; it may serve as a building block for the synthesis of other aroma compounds in industrial manufacturing, and can appear as an odorant or scent component in coatings and inks; all use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 554.41
    methanol 419.06
    isopropanol 580.48
    water 2.79
    ethyl acetate 510.34
    n-propanol 524.22
    acetone 544.39
    n-butanol 425.99
    acetonitrile 503.86
    DMF 628.59
    toluene 248.07
    isobutanol 389.82
    1,4-dioxane 864.34
    methyl acetate 559.61
    THF 762.22
    2-butanone 616.23
    n-pentanol 246.48
    sec-butanol 416.27
    n-hexane 41.29
    ethylene glycol 118.29
    NMP 345.57
    cyclohexane 58.52
    DMSO 455.93
    n-butyl acetate 332.44
    n-octanol 177.05
    chloroform 1299.85
    n-propyl acetate 243.49
    acetic acid 307.3
    dichloromethane 913.4
    cyclohexanone 529.74
    propylene glycol 192.7
    isopropyl acetate 266.48
    DMAc 384.58
    2-ethoxyethanol 319.17
    isopentanol 348.79
    n-heptane 33.63
    ethyl formate 285.08
    1,2-dichloroethane 583.01
    n-hexanol 396.63
    2-methoxyethanol 541.47
    isobutyl acetate 166.67
    tetrachloromethane 185.63
    n-pentyl acetate 183.46
    transcutol 1125.59
    n-heptanol 177.44
    ethylbenzene 137.16
    MIBK 244.89
    2-propoxyethanol 540.61
    tert-butanol 496.63
    MTBE 366.52
    2-butoxyethanol 306.3
    propionic acid 379.5
    o-xylene 152.89
    formic acid 106.36
    diethyl ether 390.86
    m-xylene 184.88
    p-xylene 173.29
    chlorobenzene 313.98
    dimethyl carbonate 136.49
    n-octane 18.35
    formamide 156.25
    cyclopentanone 570.66
    2-pentanone 393.71
    anisole 269.12
    cyclopentyl methyl ether 337.87
    gamma-butyrolactone 616.96
    1-methoxy-2-propanol 508.61
    pyridine 607.19
    3-pentanone 298.3
    furfural 534.29
    n-dodecane 16.37
    diethylene glycol 359.79
    diisopropyl ether 110.9
    tert-amyl alcohol 349.29
    acetylacetone 360.62
    n-hexadecane 18.53
    acetophenone 210.56
    methyl propionate 341.47
    isopentyl acetate 279.74
    trichloroethylene 1016.31
    n-nonanol 146.43
    cyclohexanol 303.76
    benzyl alcohol 215.64
    2-ethylhexanol 196.02
    isooctanol 144.28
    dipropyl ether 198.44
    1,2-dichlorobenzene 253.21
    ethyl lactate 129.85
    propylene carbonate 317.18
    n-methylformamide 349.75
    2-pentanol 297.26
    n-pentane 42.5
    1-propoxy-2-propanol 384.57
    1-methoxy-2-propyl acetate 320.57
    2-(2-methoxypropoxy) propanol 245.22
    mesitylene 113.22
    ε-caprolactone 447.65
    p-cymene 91.95
    epichlorohydrin 755.68
    1,1,1-trichloroethane 585.8
    2-aminoethanol 267.45
    morpholine-4-carbaldehyde 507.7
    sulfolane 497.03
    2,2,4-trimethylpentane 25.97
    2-methyltetrahydrofuran 550.86
    n-hexyl acetate 272.61
    isooctane 26.73
    2-(2-butoxyethoxy)ethanol 363.2
    sec-butyl acetate 172.28
    tert-butyl acetate 249.77
    decalin 35.48
    glycerin 213.76
    diglyme 605.37
    acrylic acid 279.17
    isopropyl myristate 107.76
    n-butyric acid 463.98
    acetyl acetate 244.45
    di(2-ethylhexyl) phthalate 95.48
    ethyl propionate 219.47
    nitromethane 562.83
    1,2-diethoxyethane 354.75
    benzonitrile 301.68
    trioctyl phosphate 74.82
    1-bromopropane 386.82
    gamma-valerolactone 740.12
    n-decanol 110.4
    triethyl phosphate 90.32
    4-methyl-2-pentanol 179.67
    propionitrile 454.03
    vinylene carbonate 313.94
    1,1,2-trichlorotrifluoroethane 421.0
    DMS 220.77
    cumene 100.79
    2-octanol 124.03
    2-hexanone 257.49
    octyl acetate 138.7
    limonene 121.29
    1,2-dimethoxyethane 462.42
    ethyl orthosilicate 91.29
    tributyl phosphate 87.23
    diacetone alcohol 314.7
    N,N-dimethylaniline 155.67
    acrylonitrile 505.66
    aniline 300.14
    1,3-propanediol 353.57
    bromobenzene 319.12
    dibromomethane 638.24
    1,1,2,2-tetrachloroethane 742.26
    2-methyl-cyclohexyl acetate 158.54
    tetrabutyl urea 104.78
    diisobutyl methanol 120.35
    2-phenylethanol 264.03
    styrene 165.1
    dioctyl adipate 131.35
    dimethyl sulfate 179.54
    ethyl butyrate 207.5
    methyl lactate 179.7
    butyl lactate 152.02
    diethyl carbonate 137.53
    propanediol butyl ether 259.98
    triethyl orthoformate 133.51
    p-tert-butyltoluene 90.44
    methyl 4-tert-butylbenzoate 204.99
    morpholine 865.84
    tert-butylamine 294.87
    n-dodecanol 86.31
    dimethoxymethane 351.53
    ethylene carbonate 252.85
    cyrene 181.03
    2-ethoxyethyl acetate 263.01
    2-ethylhexyl acetate 194.46
    1,2,4-trichlorobenzene 292.62
    4-methylpyridine 513.34
    dibutyl ether 161.67
    2,6-dimethyl-4-heptanol 120.35
    DEF 321.38
    dimethyl isosorbide 340.62
    tetrachloroethylene 451.85
    eugenol 214.33
    triacetin 224.34
    span 80 218.5
    1,4-butanediol 137.99
    1,1-dichloroethane 745.49
    2-methyl-1-pentanol 202.55
    methyl formate 257.89
    2-methyl-1-butanol 307.47
    n-decane 26.4
    butyronitrile 394.68
    3,7-dimethyl-1-octanol 164.52
    1-chlorooctane 111.9
    1-chlorotetradecane 45.27
    n-nonane 25.28
    undecane 20.36
    tert-butylcyclohexane 38.04
    cyclooctane 21.92
    cyclopentanol 332.61
    tetrahydropyran 663.65
    tert-amyl methyl ether 221.04
    2,5,8-trioxanonane 371.0
    1-hexene 153.26
    2-isopropoxyethanol 263.79
    2,2,2-trifluoroethanol 137.6
    methyl butyrate 262.04

    Scent© AI

1 4

IFRA standard 51

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