6-Methyl-3-cyclohexene-1-carboxaldehyde

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  • Identifiers

    CAS number
    89-94-1

    Molecular formula
    C8H12O

    SMILES
    CC1CC=CCC1C=O

    Safety labels

    Corrosive
    Corrosive

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Green 88.3%
    Aldehydic 60.66%
    Herbal 56.45%
    Floral 47.84%
    Leafy 47.74%
    Fresh 47.23%
    Fruity 43.18%
    Citrus 37.97%
    Cortex 36.82%
    Spicy 29.59%

     

    Flavor
    Spice 37.58%
    Green 32.72%
    Mint 31.78%
    Spicy 29.97%
    Minty 27.4%
    Sweet 26.2%
    Fatty 25.74%
    Herbal 25.68%
    Fresh 24.67%
    Cinnamon 23.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.63 (neutral)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    171°C

    Flash point

    • 66.58 ˚C est.

  • Synonyms

    • 89-94-1
    • 6-Methyl-3-cyclohexene-1-carboxaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 6-methyl-
    • 6-Methylcyclohex-3-enecarbaldehyde
    • 6-methylcyclohex-3-ene-1-carbaldehyde
    • 2-Methyl-1,2,3,6-tetrahydrobenzaldehyde
    • AI3-21662
    • EINECS 201-953-7
    • 2-Methyl-4-cyclohexene-1-carboxaldehyde
    • 4-Cyclohexene-1-carboxaldehyde, 2-methyl-
    • UNII-FCU8G03Q8A
    • FCU8G03Q8A
    • DTXSID50883269
    • 6-Methyl-3-cyclohexenecarboxaldehyde
    • MFCD01735052
    • SCHEMBL43733
    • DTXCID501022812
    • 6-methyl-3-cyclohexene carboxaldehyde
    • AKOS006345025
    • 2-methyl-4-cyclohexene-1-carboaldehyde
    • 6-Methyl-3-cyclohexen-1-carboxaldehyde
    • 6-Methyl-3-cyclohexene-1-carbaldehyde #
    • DB-030528
    • CS-0257738
    • NS00041094
    • 6-METHYL-DELTA3-TETRAHYDROBENZALDEHYDE
    • 6-METHYL-.DELTA.3-TETRAHYDROBENZALDEHYDE
    • EN300-6763523
    • Z1201621350
    • 201-953-7

  • Applications

    6-Methyl-3-cyclohexene-1-carboxaldehyde, CAS 89-94-1, is a cyclohexene aldehyde primarily used as a fragrance ingredient and as an intermediate for the synthesis of other fragrance compounds. In perfumery, it may contribute green, nuanced notes and serve as a building block for more complex aroma molecules. Its aldehyde functionality also makes it a useful intermediate in organic synthesis for preparing cyclic derivatives and other aldehyde-containing products. It may be evaluated for use in cosmetics and personal care products as a fragrance component, and for household cleaning formulations where aroma performance is desired. It may also be considered for aroma applications in flavor formulations under appropriate regulatory and formulation constraints. In industrial manufacturing, it can be used as a precursor in the production of specialty chemicals and materials derived from cyclohexene scaffolds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 384.94
    methanol 335.48
    isopropanol 295.12
    water 1.06
    ethyl acetate 520.92
    n-propanol 335.76
    acetone 398.87
    n-butanol 298.35
    acetonitrile 467.28
    DMF 390.38
    toluene 217.0
    isobutanol 216.44
    1,4-dioxane 937.29
    methyl acetate 465.27
    THF 722.41
    2-butanone 405.71
    n-pentanol 194.61
    sec-butanol 223.57
    n-hexane 43.25
    ethylene glycol 60.78
    NMP 382.52
    cyclohexane 82.87
    DMSO 468.59
    n-butyl acetate 410.63
    n-octanol 108.28
    chloroform 1284.24
    n-propyl acetate 267.66
    acetic acid 388.87
    dichloromethane 931.58
    cyclohexanone 535.14
    propylene glycol 84.55
    isopropyl acetate 245.3
    DMAc 209.76
    2-ethoxyethanol 246.59
    isopentanol 260.61
    n-heptane 38.02
    ethyl formate 256.16
    1,2-dichloroethane 605.04
    n-hexanol 336.98
    2-methoxyethanol 381.07
    isobutyl acetate 153.88
    tetrachloromethane 183.61
    n-pentyl acetate 168.6
    transcutol 1749.38
    n-heptanol 126.3
    ethylbenzene 99.62
    MIBK 200.57
    2-propoxyethanol 444.99
    tert-butanol 330.04
    MTBE 262.56
    2-butoxyethanol 214.68
    propionic acid 364.91
    o-xylene 124.43
    formic acid 127.19
    diethyl ether 409.11
    m-xylene 150.54
    p-xylene 125.92
    chlorobenzene 353.83
    dimethyl carbonate 111.18
    n-octane 14.96
    formamide 179.21
    cyclopentanone 519.64
    2-pentanone 314.17
    anisole 212.35
    cyclopentyl methyl ether 340.58
    gamma-butyrolactone 688.72
    1-methoxy-2-propanol 317.71
    pyridine 637.26
    3-pentanone 226.33
    furfural 538.83
    n-dodecane 11.69
    diethylene glycol 276.44
    diisopropyl ether 114.43
    tert-amyl alcohol 212.03
    acetylacetone 343.1
    n-hexadecane 13.55
    acetophenone 175.48
    methyl propionate 309.01
    isopentyl acetate 298.61
    trichloroethylene 1112.65
    n-nonanol 96.14
    cyclohexanol 265.49
    benzyl alcohol 154.56
    2-ethylhexanol 181.72
    isooctanol 104.82
    dipropyl ether 225.96
    1,2-dichlorobenzene 289.46
    ethyl lactate 104.66
    propylene carbonate 351.21
    n-methylformamide 281.2
    2-pentanol 204.81
    n-pentane 42.5
    1-propoxy-2-propanol 337.63
    1-methoxy-2-propyl acetate 333.89
    2-(2-methoxypropoxy) propanol 233.85
    mesitylene 95.9
    ε-caprolactone 474.81
    p-cymene 75.56
    epichlorohydrin 722.86
    1,1,1-trichloroethane 628.4
    2-aminoethanol 144.77
    morpholine-4-carbaldehyde 487.49
    sulfolane 560.43
    2,2,4-trimethylpentane 21.58
    2-methyltetrahydrofuran 527.07
    n-hexyl acetate 233.56
    isooctane 24.8
    2-(2-butoxyethoxy)ethanol 358.8
    sec-butyl acetate 168.01
    tert-butyl acetate 233.28
    decalin 35.19
    glycerin 123.6
    diglyme 631.37
    acrylic acid 277.02
    isopropyl myristate 88.23
    n-butyric acid 469.53
    acetyl acetate 273.0
    di(2-ethylhexyl) phthalate 82.91
    ethyl propionate 206.18
    nitromethane 633.47
    1,2-diethoxyethane 520.54
    benzonitrile 298.73
    trioctyl phosphate 60.15
    1-bromopropane 365.58
    gamma-valerolactone 662.98
    n-decanol 73.08
    triethyl phosphate 87.82
    4-methyl-2-pentanol 124.73
    propionitrile 366.17
    vinylene carbonate 358.52
    1,1,2-trichlorotrifluoroethane 373.98
    DMS 197.91
    cumene 68.44
    2-octanol 74.14
    2-hexanone 247.44
    octyl acetate 110.28
    limonene 113.66
    1,2-dimethoxyethane 423.37
    ethyl orthosilicate 91.17
    tributyl phosphate 82.93
    diacetone alcohol 241.04
    N,N-dimethylaniline 112.02
    acrylonitrile 426.33
    aniline 277.37
    1,3-propanediol 226.17
    bromobenzene 360.99
    dibromomethane 620.97
    1,1,2,2-tetrachloroethane 767.43
    2-methyl-cyclohexyl acetate 158.76
    tetrabutyl urea 91.11
    diisobutyl methanol 109.68
    2-phenylethanol 219.0
    styrene 135.13
    dioctyl adipate 127.25
    dimethyl sulfate 149.72
    ethyl butyrate 258.17
    methyl lactate 126.35
    butyl lactate 139.26
    diethyl carbonate 159.25
    propanediol butyl ether 180.75
    triethyl orthoformate 162.77
    p-tert-butyltoluene 72.03
    methyl 4-tert-butylbenzoate 150.68
    morpholine 873.28
    tert-butylamine 224.47
    n-dodecanol 57.0
    dimethoxymethane 287.37
    ethylene carbonate 294.67
    cyrene 153.45
    2-ethoxyethyl acetate 276.29
    2-ethylhexyl acetate 219.25
    1,2,4-trichlorobenzene 316.4
    4-methylpyridine 475.63
    dibutyl ether 167.25
    2,6-dimethyl-4-heptanol 109.68
    DEF 294.56
    dimethyl isosorbide 360.88
    tetrachloroethylene 527.15
    eugenol 160.03
    triacetin 217.78
    span 80 202.48
    1,4-butanediol 80.15
    1,1-dichloroethane 676.52
    2-methyl-1-pentanol 165.34
    methyl formate 214.58
    2-methyl-1-butanol 209.04
    n-decane 19.73
    butyronitrile 357.45
    3,7-dimethyl-1-octanol 124.63
    1-chlorooctane 86.73
    1-chlorotetradecane 33.78
    n-nonane 19.15
    undecane 14.96
    tert-butylcyclohexane 32.52
    cyclooctane 26.6
    cyclopentanol 262.29
    tetrahydropyran 723.74
    tert-amyl methyl ether 161.87
    2,5,8-trioxanonane 389.94
    1-hexene 146.56
    2-isopropoxyethanol 189.78
    2,2,2-trifluoroethanol 136.93
    methyl butyrate 270.44

    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