1,3,4-Trimethyl-3-cyclohexen-1-carboxaldehyde

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  • Identifiers

    CAS number
    40702-26-9

    Molecular formula
    C10H16O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 70.25%
    Citrus 58.9%
    Fresh 51.34%
    Green 48.81%
    Aldehydic 45.31%
    Spicy 39.78%
    Floral 35.56%
    Mint 34.91%
    Lemon 33.82%
    Woody 32.92%

     

    Flavor
    Fruity 68.78%
    Woody 53.75%
    Earthy 35.88%
    Sweet 35.48%
    Spicy 35.41%
    Herbal 35.15%
    Tobacco 33.52%
    Camphor 32.23%
    Floral 28.85%
    Citrus 27.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.45 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 81.71 ˚C est.

  • Synonyms

    • 1,3,4-Trimethyl-3-cyclohexen-1-carboxaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl-
    • 1,3,4-trimethyl-3-cyclohexene-1-carboxaldehyde
    • DTXSID90880914
    • 1,3,4-Trimethyl-3-cyclohexenyl-1-carboxaldehyde
    • RefChem:72260
    • DTXCID401022257
    • HPPUQZZCHCEJEW-UHFFFAOYSA-N
    • 40702-26-9
    • 1,3,4-Trimethylcyclohex-3-enecarbaldehyde
    • 1,3,4-trimethylcyclohex-3-ene-1-carbaldehyde
    • MFCD00060824
    • SCHEMBL14570383
    • CHEBI:171938
    • AKOS006228341
    • BS-22665
    • CS-0206580
    • NS00096289
    • H58905
    • 1,3,4-trimethyl-cyclohex-3-ene-1-carbaldehyde
    • 1,3,4-Trimethyl-3-cyclohexene-1-carbaldehyde #
    • 40702-26-9

  • Applications

    1,3,4-Trimethyl-3-cyclohexen-1-carboxaldehyde (CAS 40702-26-9) is primarily used as an aroma chemical in perfumery, where it contributes green, fruity or floral notes; it is commonly evaluated as a fragrance ingredient in cosmetics and personal care products such as creams, lotions, and soaps; it may be used in household products (air fresheners, cleaners) to impart a lasting scent; it can serve as an intermediate in fragrance chemistry for the synthesis or modification of other aroma compounds; and it may be used as a scent additive in coatings, inks, and polymer formulations where fragrances are required. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 780.32
    methanol 466.34
    isopropanol 736.51
    water 2.03
    ethyl acetate 1618.21
    n-propanol 684.96
    acetone 1128.88
    n-butanol 624.47
    acetonitrile 1311.02
    DMF 936.52
    toluene 567.24
    isobutanol 501.75
    1,4-dioxane 1534.45
    methyl acetate 1395.29
    THF 1767.11
    2-butanone 1280.3
    n-pentanol 308.87
    sec-butanol 540.36
    n-hexane 53.74
    ethylene glycol 107.92
    NMP 558.28
    cyclohexane 83.01
    DMSO 482.68
    n-butyl acetate 1002.72
    n-octanol 248.65
    chloroform 2241.4
    n-propyl acetate 662.42
    acetic acid 517.78
    dichloromethane 1949.66
    cyclohexanone 1136.81
    propylene glycol 180.58
    isopropyl acetate 905.12
    DMAc 687.5
    2-ethoxyethanol 498.45
    isopentanol 571.16
    n-heptane 57.37
    ethyl formate 770.17
    1,2-dichloroethane 1217.18
    n-hexanol 608.33
    2-methoxyethanol 837.82
    isobutyl acetate 410.66
    tetrachloromethane 421.07
    n-pentyl acetate 419.91
    transcutol 2067.89
    n-heptanol 278.42
    ethylbenzene 288.69
    MIBK 579.76
    2-propoxyethanol 908.08
    tert-butanol 843.56
    MTBE 872.77
    2-butoxyethanol 510.93
    propionic acid 615.97
    o-xylene 338.83
    formic acid 168.44
    diethyl ether 890.42
    m-xylene 388.23
    p-xylene 386.8
    chlorobenzene 716.92
    dimethyl carbonate 354.97
    n-octane 28.32
    formamide 316.15
    cyclopentanone 1347.19
    2-pentanone 970.33
    anisole 645.41
    cyclopentyl methyl ether 706.37
    gamma-butyrolactone 1525.21
    1-methoxy-2-propanol 765.36
    pyridine 1087.52
    3-pentanone 722.78
    furfural 1124.64
    n-dodecane 21.69
    diethylene glycol 470.57
    diisopropyl ether 288.92
    tert-amyl alcohol 573.9
    acetylacetone 1011.47
    n-hexadecane 25.33
    acetophenone 487.11
    methyl propionate 928.15
    isopentyl acetate 764.65
    trichloroethylene 2306.63
    n-nonanol 218.47
    cyclohexanol 420.9
    benzyl alcohol 372.14
    2-ethylhexanol 342.29
    isooctanol 235.2
    dipropyl ether 454.58
    1,2-dichlorobenzene 601.37
    ethyl lactate 238.69
    propylene carbonate 854.9
    n-methylformamide 595.59
    2-pentanol 444.56
    n-pentane 60.75
    1-propoxy-2-propanol 688.88
    1-methoxy-2-propyl acetate 822.15
    2-(2-methoxypropoxy) propanol 428.05
    mesitylene 247.69
    ε-caprolactone 1012.1
    p-cymene 199.8
    epichlorohydrin 1781.22
    1,1,1-trichloroethane 1548.48
    2-aminoethanol 285.37
    morpholine-4-carbaldehyde 920.59
    sulfolane 881.95
    2,2,4-trimethylpentane 43.01
    2-methyltetrahydrofuran 1203.61
    n-hexyl acetate 611.93
    isooctane 46.31
    2-(2-butoxyethoxy)ethanol 637.71
    sec-butyl acetate 491.36
    tert-butyl acetate 787.73
    decalin 58.91
    glycerin 215.31
    diglyme 1130.6
    acrylic acid 429.32
    isopropyl myristate 231.69
    n-butyric acid 937.85
    acetyl acetate 746.92
    di(2-ethylhexyl) phthalate 175.68
    ethyl propionate 621.98
    nitromethane 1210.32
    1,2-diethoxyethane 870.43
    benzonitrile 601.34
    trioctyl phosphate 130.52
    1-bromopropane 736.6
    gamma-valerolactone 1583.57
    n-decanol 161.13
    triethyl phosphate 201.46
    4-methyl-2-pentanol 297.38
    propionitrile 1065.97
    vinylene carbonate 784.0
    1,1,2-trichlorotrifluoroethane 713.21
    DMS 489.18
    cumene 210.8
    2-octanol 187.49
    2-hexanone 548.12
    octyl acetate 271.52
    limonene 254.58
    1,2-dimethoxyethane 867.56
    ethyl orthosilicate 200.51
    tributyl phosphate 175.38
    diacetone alcohol 650.26
    N,N-dimethylaniline 343.09
    acrylonitrile 1089.81
    aniline 600.87
    1,3-propanediol 462.39
    bromobenzene 773.95
    dibromomethane 1178.92
    1,1,2,2-tetrachloroethane 1461.06
    2-methyl-cyclohexyl acetate 358.16
    tetrabutyl urea 194.78
    diisobutyl methanol 213.12
    2-phenylethanol 477.76
    styrene 349.86
    dioctyl adipate 265.97
    dimethyl sulfate 386.31
    ethyl butyrate 610.94
    methyl lactate 306.04
    butyl lactate 303.94
    diethyl carbonate 379.75
    propanediol butyl ether 368.58
    triethyl orthoformate 337.93
    p-tert-butyltoluene 211.35
    methyl 4-tert-butylbenzoate 403.78
    morpholine 1499.42
    tert-butylamine 536.35
    n-dodecanol 120.15
    dimethoxymethane 711.58
    ethylene carbonate 658.89
    cyrene 318.86
    2-ethoxyethyl acetate 652.05
    2-ethylhexyl acetate 541.63
    1,2,4-trichlorobenzene 660.32
    4-methylpyridine 1132.17
    dibutyl ether 349.73
    2,6-dimethyl-4-heptanol 213.12
    DEF 788.11
    dimethyl isosorbide 750.18
    tetrachloroethylene 958.45
    eugenol 389.2
    triacetin 464.49
    span 80 338.76
    1,4-butanediol 143.51
    1,1-dichloroethane 1637.56
    2-methyl-1-pentanol 292.63
    methyl formate 479.47
    2-methyl-1-butanol 451.22
    n-decane 38.44
    butyronitrile 1037.51
    3,7-dimethyl-1-octanol 282.32
    1-chlorooctane 194.44
    1-chlorotetradecane 72.04
    n-nonane 37.16
    undecane 27.65
    tert-butylcyclohexane 64.87
    cyclooctane 34.85
    cyclopentanol 470.49
    tetrahydropyran 1244.05
    tert-amyl methyl ether 524.86
    2,5,8-trioxanonane 647.89
    1-hexene 241.8
    2-isopropoxyethanol 404.59
    2,2,2-trifluoroethanol 244.36
    methyl butyrate 729.3

    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