2,2,4-Trimethyl-3-cyclohexenecarboxaldehyde

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  • Identifiers

    CAS number
    1726-47-2

    Molecular formula
    C10H16O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 80.26%
    Green 72.54%
    Citrus 57.58%
    Floral 53.0%
    Fresh 50.13%
    Woody 49.38%
    Spicy 44.52%
    Aldehydic 44.41%
    Mint 42.74%
    Leafy 41.14%

     

    Flavor
    Fruity 69.25%
    Sweet 53.8%
    Woody 48.12%
    Herbal 46.29%
    Minty 40.23%
    Tobacco 36.17%
    Mint 34.25%
    Camphor 33.72%
    Spicy 32.12%
    Floral 31.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.12 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    192°C

    Flash point

    • 90.99 ˚C est.

  • Synonyms

    • Pseudo-cyclocitral
    • 3-Cyclohexene-1-carboxaldehyde, 2,2,4-trimethyl-
    • 1726-47-2
    • 2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
    • 76F73P1ELR
    • 2,2,4-Trimethyl-3-cyclohexenecarboxaldehyde
    • DTXSID00862741
    • 1,3,3-trimethylcyclohex-1-ene-4-carboxaldehyde
    • 1-FORMYL-2,2,4-TRIMETHYL-3-CYCLOHEXENE
    • 2,2,4-TRIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDE
    • Pseudocyclocitral
    • UNII-76F73P1ELR
    • DTXCID30811464
    • DB-324517
    • NS00121269
    • 2,2,4-Trimethyl-3-cyclohexene-1-carbaldehyde #
    • Q27266486
    • 1,3,3-Trimethylcyclohex-1-ene-4-carboxaldehyde, (+,-)-

  • Applications

    2,2,4-Trimethyl-3-cyclohexenecarboxaldehyde (CAS 1726-47-2) is primarily encountered in fragrance applications as an odorant and fragrance ingredient, contributing green, aldehydic notes and serving as a building block or fixative in perfumery and cosmetics; it is often evaluated as an intermediate for synthesizing more complex aroma compounds in industrial manufacturing. It can be used as a scented additive in household products such as air fresheners and cleaners, and in coatings and inks to impart a specific aroma profile. In some formulations, it may be explored as a flavor/aroma intermediate within flavor and fragrance applications, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 845.37
    methanol 719.02
    isopropanol 608.18
    water 1.64
    ethyl acetate 1531.77
    n-propanol 721.14
    acetone 1413.55
    n-butanol 623.85
    acetonitrile 1419.92
    DMF 1099.87
    toluene 712.8
    isobutanol 502.89
    1,4-dioxane 2192.28
    methyl acetate 1235.21
    THF 3375.49
    2-butanone 1236.12
    n-pentanol 303.02
    sec-butanol 499.61
    n-hexane 114.85
    ethylene glycol 94.5
    NMP 1400.73
    cyclohexane 300.21
    DMSO 825.13
    n-butyl acetate 957.52
    n-octanol 266.83
    chloroform 2629.64
    n-propyl acetate 553.73
    acetic acid 713.38
    dichloromethane 2494.44
    cyclohexanone 1788.74
    propylene glycol 147.75
    isopropyl acetate 817.42
    DMAc 604.83
    2-ethoxyethanol 398.31
    isopentanol 530.78
    n-heptane 113.7
    ethyl formate 746.92
    1,2-dichloroethane 1610.03
    n-hexanol 710.31
    2-methoxyethanol 818.32
    isobutyl acetate 340.26
    tetrachloromethane 472.84
    n-pentyl acetate 444.19
    transcutol 2296.82
    n-heptanol 259.64
    ethylbenzene 276.49
    MIBK 595.2
    2-propoxyethanol 962.15
    tert-butanol 667.29
    MTBE 853.69
    2-butoxyethanol 436.7
    propionic acid 676.59
    o-xylene 366.9
    formic acid 231.27
    diethyl ether 1211.69
    m-xylene 480.01
    p-xylene 338.1
    chlorobenzene 937.19
    dimethyl carbonate 397.88
    n-octane 39.5
    formamide 363.74
    cyclopentanone 2406.81
    2-pentanone 1088.16
    anisole 521.1
    cyclopentyl methyl ether 1437.64
    gamma-butyrolactone 2710.06
    1-methoxy-2-propanol 694.73
    pyridine 1249.86
    3-pentanone 816.71
    furfural 1399.63
    n-dodecane 28.36
    diethylene glycol 504.27
    diisopropyl ether 374.78
    tert-amyl alcohol 484.24
    acetylacetone 1055.82
    n-hexadecane 33.96
    acetophenone 409.43
    methyl propionate 1045.66
    isopentyl acetate 779.95
    trichloroethylene 2698.85
    n-nonanol 220.42
    cyclohexanol 746.05
    benzyl alcohol 315.87
    2-ethylhexanol 371.94
    isooctanol 202.62
    dipropyl ether 544.78
    1,2-dichlorobenzene 744.12
    ethyl lactate 205.41
    propylene carbonate 1219.22
    n-methylformamide 750.91
    2-pentanol 460.57
    n-pentane 144.05
    1-propoxy-2-propanol 685.67
    1-methoxy-2-propyl acetate 899.5
    2-(2-methoxypropoxy) propanol 417.92
    mesitylene 293.05
    ε-caprolactone 1449.71
    p-cymene 206.08
    epichlorohydrin 2547.48
    1,1,1-trichloroethane 1708.74
    2-aminoethanol 231.43
    morpholine-4-carbaldehyde 1203.56
    sulfolane 1795.17
    2,2,4-trimethylpentane 61.44
    2-methyltetrahydrofuran 2335.6
    n-hexyl acetate 695.9
    isooctane 64.89
    2-(2-butoxyethoxy)ethanol 627.94
    sec-butyl acetate 388.67
    tert-butyl acetate 812.48
    decalin 95.82
    glycerin 193.81
    diglyme 1055.62
    acrylic acid 514.19
    isopropyl myristate 236.96
    n-butyric acid 986.68
    acetyl acetate 781.56
    di(2-ethylhexyl) phthalate 189.04
    ethyl propionate 528.95
    nitromethane 1481.21
    1,2-diethoxyethane 873.59
    benzonitrile 630.46
    trioctyl phosphate 145.43
    1-bromopropane 1055.04
    gamma-valerolactone 2259.87
    n-decanol 159.12
    triethyl phosphate 202.43
    4-methyl-2-pentanol 285.74
    propionitrile 1002.34
    vinylene carbonate 996.55
    1,1,2-trichlorotrifluoroethane 817.24
    DMS 529.53
    cumene 178.26
    2-octanol 173.69
    2-hexanone 501.9
    octyl acetate 293.83
    limonene 327.69
    1,2-dimethoxyethane 775.99
    ethyl orthosilicate 199.48
    tributyl phosphate 209.8
    diacetone alcohol 651.24
    N,N-dimethylaniline 269.66
    acrylonitrile 994.38
    aniline 656.03
    1,3-propanediol 399.1
    bromobenzene 1050.27
    dibromomethane 1641.58
    1,1,2,2-tetrachloroethane 1671.98
    2-methyl-cyclohexyl acetate 394.06
    tetrabutyl urea 220.41
    diisobutyl methanol 213.19
    2-phenylethanol 483.67
    styrene 326.98
    dioctyl adipate 299.75
    dimethyl sulfate 476.94
    ethyl butyrate 573.31
    methyl lactate 309.02
    butyl lactate 295.54
    diethyl carbonate 347.42
    propanediol butyl ether 355.04
    triethyl orthoformate 353.75
    p-tert-butyltoluene 209.28
    methyl 4-tert-butylbenzoate 390.13
    morpholine 2220.25
    tert-butylamine 487.45
    n-dodecanol 118.67
    dimethoxymethane 956.64
    ethylene carbonate 854.54
    cyrene 323.29
    2-ethoxyethyl acetate 650.75
    2-ethylhexyl acetate 602.83
    1,2,4-trichlorobenzene 806.33
    4-methylpyridine 1244.84
    dibutyl ether 423.86
    2,6-dimethyl-4-heptanol 213.19
    DEF 864.77
    dimethyl isosorbide 844.72
    tetrachloroethylene 1097.99
    eugenol 332.32
    triacetin 482.18
    span 80 367.17
    1,4-butanediol 117.2
    1,1-dichloroethane 1810.39
    2-methyl-1-pentanol 282.34
    methyl formate 687.03
    2-methyl-1-butanol 470.83
    n-decane 51.55
    butyronitrile 1058.16
    3,7-dimethyl-1-octanol 270.88
    1-chlorooctane 237.75
    1-chlorotetradecane 86.95
    n-nonane 52.56
    undecane 36.54
    tert-butylcyclohexane 83.75
    cyclooctane 97.77
    cyclopentanol 828.16
    tetrahydropyran 2342.3
    tert-amyl methyl ether 550.82
    2,5,8-trioxanonane 637.49
    1-hexene 334.98
    2-isopropoxyethanol 317.75
    2,2,2-trifluoroethanol 279.26
    methyl butyrate 623.84

    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