2,6,6-Trimethyl-2-cyclohexene-1-acrylaldehyde

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  • Identifiers

    CAS number
    29460-68-2

    Molecular formula
    C12H18O

    SMILES
    CC1=CCCC(C1C=CC=O)(C)C

  • Odor profile

    Fragrance
    Sweet 71.5%
    Woody 68.23%
    Floral 55.59%
    Violet 50.06%
    Powdery 45.55%
    Orris 43.18%
    Dry 37.66%
    Spicy 37.25%
    Oily 35.84%
    Aldehydic 35.57%

     

    Flavor
    Sweet 71.17%
    Woody 58.76%
    Floral 53.9%
    Spicy 49.92%
    Fruity 45.65%
    Spice 40.84%
    Herbal 38.5%
    Violet 38.03%
    Tropical 34.33%
    Fresh 33.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.92 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 102.83 ˚C est.

  • Synonyms

    • 2,6,6-Trimethyl-2-cyclohexene-1-acrylaldehyde
    • 29460-68-2

  • Applications

    2,6,6-Trimethyl-2-cyclohexene-1-acrylaldehyde (CAS 29460-68-2) is typically used as a fragrance intermediate and odor-active precursor in perfumery, contributing to niche aroma profiles; the acrylaldehyde functionality makes it a potential functional monomer or co-monomer for specialty polymers, coatings, and adhesives. In cosmetics/personal care, it may be considered as a fragrance ingredient; in industrial manufacturing, it can serve as a synthetic intermediate for specialty chemicals and may participate in coating and adhesive technologies. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 965.29
    methanol 811.95
    isopropanol 583.47
    water 0.57
    ethyl acetate 2233.68
    n-propanol 895.06
    acetone 2623.72
    n-butanol 709.07
    acetonitrile 1676.51
    DMF 2365.64
    toluene 1175.5
    isobutanol 544.9
    1,4-dioxane 2015.06
    methyl acetate 1879.27
    THF 5042.99
    2-butanone 2359.71
    n-pentanol 334.85
    sec-butanol 528.09
    n-hexane 68.27
    ethylene glycol 124.76
    NMP 2742.6
    cyclohexane 170.49
    DMSO 2077.43
    n-butyl acetate 1158.55
    n-octanol 205.13
    chloroform 2962.82
    n-propyl acetate 815.3
    acetic acid 664.95
    dichloromethane 3746.86
    cyclohexanone 2935.09
    propylene glycol 207.82
    isopropyl acetate 1074.51
    DMAc 1234.23
    2-ethoxyethanol 580.87
    isopentanol 531.19
    n-heptane 50.58
    ethyl formate 1037.93
    1,2-dichloroethane 2754.71
    n-hexanol 544.6
    2-methoxyethanol 1224.06
    isobutyl acetate 435.01
    tetrachloromethane 480.79
    n-pentyl acetate 541.34
    transcutol 3759.29
    n-heptanol 196.04
    ethylbenzene 361.57
    MIBK 835.44
    2-propoxyethanol 1080.4
    tert-butanol 596.87
    MTBE 988.36
    2-butoxyethanol 461.41
    propionic acid 821.23
    o-xylene 486.9
    formic acid 268.43
    diethyl ether 1542.62
    m-xylene 687.12
    p-xylene 385.19
    chlorobenzene 1475.71
    dimethyl carbonate 715.18
    n-octane 15.44
    formamide 638.58
    cyclopentanone 4720.91
    2-pentanone 1988.64
    anisole 833.58
    cyclopentyl methyl ether 2153.3
    gamma-butyrolactone 4834.35
    1-methoxy-2-propanol 1007.15
    pyridine 2025.25
    3-pentanone 1518.86
    furfural 2340.85
    n-dodecane 9.69
    diethylene glycol 586.22
    diisopropyl ether 357.65
    tert-amyl alcohol 527.37
    acetylacetone 1862.57
    n-hexadecane 12.23
    acetophenone 715.09
    methyl propionate 1896.38
    isopentyl acetate 905.46
    trichloroethylene 4974.28
    n-nonanol 169.16
    cyclohexanol 720.26
    benzyl alcohol 466.89
    2-ethylhexanol 300.14
    isooctanol 154.53
    dipropyl ether 515.71
    1,2-dichlorobenzene 1161.29
    ethyl lactate 271.17
    propylene carbonate 1620.5
    n-methylformamide 1584.43
    2-pentanol 437.46
    n-pentane 83.82
    1-propoxy-2-propanol 735.04
    1-methoxy-2-propyl acetate 1244.54
    2-(2-methoxypropoxy) propanol 463.52
    mesitylene 353.91
    ε-caprolactone 2145.05
    p-cymene 220.08
    epichlorohydrin 4770.54
    1,1,1-trichloroethane 2237.2
    2-aminoethanol 323.24
    morpholine-4-carbaldehyde 1831.6
    sulfolane 3822.69
    2,2,4-trimethylpentane 41.24
    2-methyltetrahydrofuran 3574.78
    n-hexyl acetate 802.46
    isooctane 38.17
    2-(2-butoxyethoxy)ethanol 693.94
    sec-butyl acetate 543.79
    tert-butyl acetate 1047.35
    decalin 73.44
    glycerin 242.9
    diglyme 1463.63
    acrylic acid 643.65
    isopropyl myristate 212.31
    n-butyric acid 1074.41
    acetyl acetate 924.61
    di(2-ethylhexyl) phthalate 198.77
    ethyl propionate 810.53
    nitromethane 2219.6
    1,2-diethoxyethane 1053.96
    benzonitrile 895.15
    trioctyl phosphate 143.24
    1-bromopropane 1402.98
    gamma-valerolactone 3656.42
    n-decanol 114.14
    triethyl phosphate 238.7
    4-methyl-2-pentanol 240.03
    propionitrile 1295.31
    vinylene carbonate 1373.21
    1,1,2-trichlorotrifluoroethane 1318.25
    DMS 801.03
    cumene 204.13
    2-octanol 131.38
    2-hexanone 798.95
    octyl acetate 279.19
    limonene 333.85
    1,2-dimethoxyethane 1052.15
    ethyl orthosilicate 229.36
    tributyl phosphate 220.53
    diacetone alcohol 916.07
    N,N-dimethylaniline 410.48
    acrylonitrile 1572.5
    aniline 1078.84
    1,3-propanediol 476.39
    bromobenzene 1543.97
    dibromomethane 2288.92
    1,1,2,2-tetrachloroethane 2763.48
    2-methyl-cyclohexyl acetate 436.96
    tetrabutyl urea 243.36
    diisobutyl methanol 177.86
    2-phenylethanol 590.34
    styrene 473.82
    dioctyl adipate 324.21
    dimethyl sulfate 1015.08
    ethyl butyrate 647.38
    methyl lactate 475.42
    butyl lactate 385.24
    diethyl carbonate 391.67
    propanediol butyl ether 434.52
    triethyl orthoformate 379.13
    p-tert-butyltoluene 221.88
    methyl 4-tert-butylbenzoate 464.24
    morpholine 2698.49
    tert-butylamine 405.76
    n-dodecanol 78.94
    dimethoxymethane 1705.37
    ethylene carbonate 1169.91
    cyrene 445.61
    2-ethoxyethyl acetate 965.79
    2-ethylhexyl acetate 721.28
    1,2,4-trichlorobenzene 1305.34
    4-methylpyridine 2197.75
    dibutyl ether 346.75
    2,6-dimethyl-4-heptanol 177.86
    DEF 1549.7
    dimethyl isosorbide 1099.67
    tetrachloroethylene 1653.79
    eugenol 413.56
    triacetin 629.21
    span 80 365.27
    1,4-butanediol 137.98
    1,1-dichloroethane 2627.11
    2-methyl-1-pentanol 314.21
    methyl formate 1280.23
    2-methyl-1-butanol 513.73
    n-decane 20.56
    butyronitrile 1178.13
    3,7-dimethyl-1-octanol 227.8
    1-chlorooctane 180.69
    1-chlorotetradecane 49.25
    n-nonane 20.78
    undecane 13.61
    tert-butylcyclohexane 64.45
    cyclooctane 60.67
    cyclopentanol 939.96
    tetrahydropyran 2794.68
    tert-amyl methyl ether 670.52
    2,5,8-trioxanonane 780.61
    1-hexene 281.56
    2-isopropoxyethanol 414.31
    2,2,2-trifluoroethanol 290.37
    methyl butyrate 975.16

    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