2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-

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  • Identifiers

    CAS number
    472-64-0

    Molecular formula
    C11H18O

    SMILES
    CC1=CCCC(C1CC=O)(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 63.3%
    Herbal 51.17%
    Sweet 47.2%
    Green 45.14%
    Citrus 41.46%
    Fresh 38.71%
    Dry 38.06%
    Floral 37.48%
    Aldehydic 37.29%
    Spicy 35.91%

     

    Flavor
    Woody 66.38%
    Fruity 54.71%
    Herbal 48.64%
    Sweet 46.32%
    Green 42.05%
    Floral 37.0%
    Spicy 35.93%
    Camphor 34.58%
    Citrus 32.34%
    Fresh 31.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.36 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 100.67 ˚C est.

  • Synonyms

    • 472-64-0
    • 2,6,6-Trimethyl-2-cyclohexene-1-acetaldehyde
    • EINECS 207-453-5
    • 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-
    • DTXSID90883389
    • RefChem:470869
    • DTXCID10876319
    • 207-453-5
    • 2,6,6-Trimethyl-2-cyclohexen-1-acetaldehyde
    • (2,6,6-trimethylcyclohex-2-en-1-yl)acetaldehyde
    • SCHEMBL1305568
    • DTXSID50275968
    • YJKGMUJSGUUUJU-UHFFFAOYSA-N
    • NS00013264
    • 165657-71-6
    • 472-64-0

  • Applications

    2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- is typically used as an intermediate in fragrance and cosmetic chemistry, functioning as a precursor to more complex aroma compounds or as a fragrance note in personal care formulations. In industrial manufacturing, it can serve as a building block for organic synthesis, enabling routes to polymers, resins, and crosslinking systems. In the polymers/plastics sector, it has potential as a precursor for specialty polymers or resin systems and related crosslink chemistries. In coatings/inks, it may be employed as an intermediate in resin-based formulations or as a component contributing odor characteristics to coatings and printed materials. For household cleaning products, it may act as a fragrance component to impart desirable notes in cleaning formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 584.0
    methanol 488.89
    isopropanol 395.4
    water 0.92
    ethyl acetate 1005.82
    n-propanol 478.13
    acetone 825.73
    n-butanol 421.3
    acetonitrile 726.88
    DMF 819.83
    toluene 499.01
    isobutanol 296.18
    1,4-dioxane 1311.85
    methyl acetate 723.14
    THF 1946.88
    2-butanone 770.85
    n-pentanol 157.23
    sec-butanol 252.11
    n-hexane 27.93
    ethylene glycol 91.62
    NMP 646.84
    cyclohexane 87.92
    DMSO 554.52
    n-butyl acetate 542.29
    n-octanol 116.12
    chloroform 1621.88
    n-propyl acetate 285.44
    acetic acid 278.1
    dichloromethane 1506.89
    cyclohexanone 938.35
    propylene glycol 113.98
    isopropyl acetate 522.17
    DMAc 451.53
    2-ethoxyethanol 263.08
    isopentanol 307.87
    n-heptane 35.39
    ethyl formate 445.48
    1,2-dichloroethane 1085.67
    n-hexanol 408.36
    2-methoxyethanol 675.23
    isobutyl acetate 182.71
    tetrachloromethane 240.95
    n-pentyl acetate 216.07
    transcutol 1322.58
    n-heptanol 128.75
    ethylbenzene 164.14
    MIBK 345.15
    2-propoxyethanol 695.95
    tert-butanol 405.53
    MTBE 455.79
    2-butoxyethanol 265.23
    propionic acid 306.19
    o-xylene 227.85
    formic acid 118.71
    diethyl ether 694.53
    m-xylene 307.15
    p-xylene 188.25
    chlorobenzene 577.27
    dimethyl carbonate 275.9
    n-octane 14.1
    formamide 203.42
    cyclopentanone 1367.62
    2-pentanone 695.89
    anisole 362.47
    cyclopentyl methyl ether 696.36
    gamma-butyrolactone 1381.14
    1-methoxy-2-propanol 525.59
    pyridine 820.55
    3-pentanone 511.8
    furfural 795.16
    n-dodecane 10.88
    diethylene glycol 391.89
    diisopropyl ether 168.01
    tert-amyl alcohol 248.36
    acetylacetone 694.1
    n-hexadecane 13.05
    acetophenone 262.46
    methyl propionate 686.68
    isopentyl acetate 443.64
    trichloroethylene 1746.66
    n-nonanol 103.38
    cyclohexanol 322.0
    benzyl alcohol 208.87
    2-ethylhexanol 191.38
    isooctanol 100.11
    dipropyl ether 275.21
    1,2-dichlorobenzene 452.94
    ethyl lactate 119.33
    propylene carbonate 566.24
    n-methylformamide 513.73
    2-pentanol 222.99
    n-pentane 41.85
    1-propoxy-2-propanol 441.62
    1-methoxy-2-propyl acetate 586.07
    2-(2-methoxypropoxy) propanol 250.21
    mesitylene 178.86
    ε-caprolactone 743.58
    p-cymene 128.47
    epichlorohydrin 1685.95
    1,1,1-trichloroethane 935.5
    2-aminoethanol 189.42
    morpholine-4-carbaldehyde 742.33
    sulfolane 916.62
    2,2,4-trimethylpentane 20.63
    2-methyltetrahydrofuran 1149.07
    n-hexyl acetate 319.31
    isooctane 23.18
    2-(2-butoxyethoxy)ethanol 368.43
    sec-butyl acetate 206.1
    tert-butyl acetate 472.08
    decalin 35.15
    glycerin 145.25
    diglyme 676.34
    acrylic acid 236.4
    isopropyl myristate 115.88
    n-butyric acid 518.35
    acetyl acetate 475.34
    di(2-ethylhexyl) phthalate 104.47
    ethyl propionate 316.62
    nitromethane 724.55
    1,2-diethoxyethane 511.95
    benzonitrile 373.05
    trioctyl phosphate 78.89
    1-bromopropane 589.94
    gamma-valerolactone 1298.76
    n-decanol 75.92
    triethyl phosphate 116.3
    4-methyl-2-pentanol 141.67
    propionitrile 631.06
    vinylene carbonate 516.66
    1,1,2-trichlorotrifluoroethane 481.52
    DMS 324.9
    cumene 101.44
    2-octanol 78.3
    2-hexanone 254.68
    octyl acetate 144.02
    limonene 175.4
    1,2-dimethoxyethane 491.62
    ethyl orthosilicate 117.07
    tributyl phosphate 111.02
    diacetone alcohol 399.23
    N,N-dimethylaniline 179.48
    acrylonitrile 630.85
    aniline 417.82
    1,3-propanediol 326.78
    bromobenzene 650.33
    dibromomethane 960.96
    1,1,2,2-tetrachloroethane 1076.78
    2-methyl-cyclohexyl acetate 208.45
    tetrabutyl urea 118.93
    diisobutyl methanol 117.8
    2-phenylethanol 313.59
    styrene 204.64
    dioctyl adipate 150.41
    dimethyl sulfate 310.87
    ethyl butyrate 324.75
    methyl lactate 207.84
    butyl lactate 164.95
    diethyl carbonate 202.29
    propanediol butyl ether 203.85
    triethyl orthoformate 199.27
    p-tert-butyltoluene 131.79
    methyl 4-tert-butylbenzoate 234.12
    morpholine 1359.61
    tert-butylamine 252.61
    n-dodecanol 57.55
    dimethoxymethane 730.35
    ethylene carbonate 460.73
    cyrene 191.29
    2-ethoxyethyl acetate 399.24
    2-ethylhexyl acetate 331.25
    1,2,4-trichlorobenzene 466.18
    4-methylpyridine 785.02
    dibutyl ether 162.87
    2,6-dimethyl-4-heptanol 117.8
    DEF 530.06
    dimethyl isosorbide 498.6
    tetrachloroethylene 674.45
    eugenol 211.55
    triacetin 259.06
    span 80 190.6
    1,4-butanediol 77.16
    1,1-dichloroethane 1084.95
    2-methyl-1-pentanol 139.81
    methyl formate 419.28
    2-methyl-1-butanol 240.82
    n-decane 19.54
    butyronitrile 615.45
    3,7-dimethyl-1-octanol 136.45
    1-chlorooctane 100.56
    1-chlorotetradecane 38.5
    n-nonane 18.49
    undecane 14.09
    tert-butylcyclohexane 32.01
    cyclooctane 31.3
    cyclopentanol 380.61
    tetrahydropyran 1224.19
    tert-amyl methyl ether 276.36
    2,5,8-trioxanonane 397.99
    1-hexene 111.88
    2-isopropoxyethanol 191.47
    2,2,2-trifluoroethanol 132.69
    methyl butyrate 352.26

    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