1-Methyl-3-cyclohexene-1-carbaldehyde

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  • Identifiers

    CAS number
    931-96-4

    Molecular formula
    C8H12O

    SMILES
    CC1(CCC=CC1)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 68.81%
    Aldehydic 60.51%
    Herbal 54.21%
    Citrus 48.16%
    Fresh 47.2%
    Floral 43.87%
    Fruity 37.19%
    Leafy 35.84%
    Ozone 34.81%
    Spicy 28.21%

     

    Flavor
    Fruity 52.83%
    Minty 30.15%
    Spicy 27.44%
    Mint 26.61%
    Green 25.04%
    Spice 24.6%
    Herbal 24.38%
    Pungent 22.72%
    Cherry 22.66%
    Camphor 22.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.71 (neutral)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    165°C

    Flash point

    • 69.25 ˚C est.

  • Synonyms

    • 931-96-4
    • 1-Methyl-3-cyclohexene-1-carbaldehyde
    • DTXSID10340525
    • RefChem:1055785
    • DTXCID30291606
    • 1-methylcyclohex-3-ene-1-carbaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 1-methyl-
    • 4-formyl-4-methylcyclohexene
    • SCHEMBL2302574
    • SCHEMBL20376892
    • HXKVDJIESURQMK-UHFFFAOYSA-N
    • AKOS006287336
    • 1-Methyl-3-cyclohexene-1-carbaldehyde #
    • H54236
    • 931-96-4

  • Applications

    1-Methyl-3-cyclohexene-1-carbaldehyde (CAS 931-96-4) is typically regarded as an intermediate and building block in organic synthesis, with principal applications including as a fragrance/odorant component and a precursor to fragrance compounds; used in cosmetics and personal care as a fragrance ingredient; employed as an odorant additive in household products and cleaners; serves as a feedstock for the synthesis of specialty monomers and polymer materials; used as an odorant additive in coatings and inks; and functions as an intermediate in broader organic synthesis relevant to pharmaceutical manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 288.04
    methanol 268.47
    isopropanol 203.93
    water 2.17
    ethyl acetate 400.2
    n-propanol 232.04
    acetone 174.77
    n-butanol 222.77
    acetonitrile 235.06
    DMF 206.35
    toluene 140.0
    isobutanol 153.6
    1,4-dioxane 510.94
    methyl acetate 310.69
    THF 377.05
    2-butanone 239.88
    n-pentanol 144.87
    sec-butanol 167.8
    n-hexane 26.98
    ethylene glycol 60.13
    NMP 165.86
    cyclohexane 32.7
    DMSO 149.89
    n-butyl acetate 316.51
    n-octanol 112.56
    chloroform 636.04
    n-propyl acetate 204.35
    acetic acid 270.48
    dichloromethane 442.62
    cyclohexanone 253.01
    propylene glycol 81.89
    isopropyl acetate 218.56
    DMAc 163.0
    2-ethoxyethanol 224.43
    isopentanol 200.8
    n-heptane 28.69
    ethyl formate 183.83
    1,2-dichloroethane 264.42
    n-hexanol 282.53
    2-methoxyethanol 306.0
    isobutyl acetate 135.92
    tetrachloromethane 104.57
    n-pentyl acetate 139.78
    transcutol 1344.77
    n-heptanol 124.08
    ethylbenzene 81.48
    MIBK 163.64
    2-propoxyethanol 367.98
    tert-butanol 239.14
    MTBE 200.12
    2-butoxyethanol 211.85
    propionic acid 242.29
    o-xylene 93.38
    formic acid 122.98
    diethyl ether 273.52
    m-xylene 112.38
    p-xylene 102.41
    chlorobenzene 192.09
    dimethyl carbonate 94.8
    n-octane 12.61
    formamide 142.02
    cyclopentanone 237.47
    2-pentanone 213.35
    anisole 179.92
    cyclopentyl methyl ether 206.0
    gamma-butyrolactone 335.54
    1-methoxy-2-propanol 270.55
    pyridine 310.4
    3-pentanone 151.78
    furfural 317.56
    n-dodecane 10.46
    diethylene glycol 238.81
    diisopropyl ether 96.33
    tert-amyl alcohol 173.44
    acetylacetone 224.67
    n-hexadecane 11.67
    acetophenone 150.27
    methyl propionate 224.96
    isopentyl acetate 251.41
    trichloroethylene 545.49
    n-nonanol 98.67
    cyclohexanol 151.29
    benzyl alcohol 128.03
    2-ethylhexanol 164.58
    isooctanol 106.75
    dipropyl ether 179.92
    1,2-dichlorobenzene 174.12
    ethyl lactate 95.93
    propylene carbonate 227.4
    n-methylformamide 175.16
    2-pentanol 166.64
    n-pentane 28.07
    1-propoxy-2-propanol 286.19
    1-methoxy-2-propyl acetate 294.55
    2-(2-methoxypropoxy) propanol 228.1
    mesitylene 83.34
    ε-caprolactone 270.15
    p-cymene 72.55
    epichlorohydrin 394.79
    1,1,1-trichloroethane 296.31
    2-aminoethanol 135.04
    morpholine-4-carbaldehyde 308.96
    sulfolane 230.47
    2,2,4-trimethylpentane 20.47
    2-methyltetrahydrofuran 280.82
    n-hexyl acetate 194.71
    isooctane 24.47
    2-(2-butoxyethoxy)ethanol 335.66
    sec-butyl acetate 159.47
    tert-butyl acetate 211.03
    decalin 26.46
    glycerin 119.07
    diglyme 513.77
    acrylic acid 180.5
    isopropyl myristate 78.64
    n-butyric acid 323.34
    acetyl acetate 201.19
    di(2-ethylhexyl) phthalate 75.6
    ethyl propionate 176.76
    nitromethane 352.25
    1,2-diethoxyethane 387.8
    benzonitrile 182.79
    trioctyl phosphate 52.65
    1-bromopropane 184.18
    gamma-valerolactone 371.95
    n-decanol 74.93
    triethyl phosphate 76.62
    4-methyl-2-pentanol 121.52
    propionitrile 221.74
    vinylene carbonate 224.96
    1,1,2-trichlorotrifluoroethane 250.1
    DMS 162.15
    cumene 67.51
    2-octanol 74.6
    2-hexanone 164.25
    octyl acetate 96.95
    limonene 94.72
    1,2-dimethoxyethane 307.46
    ethyl orthosilicate 82.2
    tributyl phosphate 72.21
    diacetone alcohol 208.39
    N,N-dimethylaniline 108.43
    acrylonitrile 238.31
    aniline 175.32
    1,3-propanediol 206.46
    bromobenzene 193.55
    dibromomethane 293.3
    1,1,2,2-tetrachloroethane 377.07
    2-methyl-cyclohexyl acetate 136.35
    tetrabutyl urea 77.88
    diisobutyl methanol 101.9
    2-phenylethanol 177.51
    styrene 98.38
    dioctyl adipate 108.6
    dimethyl sulfate 105.73
    ethyl butyrate 216.57
    methyl lactate 106.86
    butyl lactate 121.14
    diethyl carbonate 135.74
    propanediol butyl ether 178.37
    triethyl orthoformate 138.89
    p-tert-butyltoluene 72.01
    methyl 4-tert-butylbenzoate 144.21
    morpholine 478.99
    tert-butylamine 166.1
    n-dodecanol 56.87
    dimethoxymethane 202.1
    ethylene carbonate 191.34
    cyrene 136.44
    2-ethoxyethyl acetate 234.24
    2-ethylhexyl acetate 185.16
    1,2,4-trichlorobenzene 192.09
    4-methylpyridine 256.94
    dibutyl ether 138.43
    2,6-dimethyl-4-heptanol 101.9
    DEF 198.22
    dimethyl isosorbide 321.49
    tetrachloroethylene 275.69
    eugenol 152.45
    triacetin 195.36
    span 80 177.67
    1,4-butanediol 75.58
    1,1-dichloroethane 315.37
    2-methyl-1-pentanol 138.43
    methyl formate 128.75
    2-methyl-1-butanol 166.74
    n-decane 17.76
    butyronitrile 229.17
    3,7-dimethyl-1-octanol 126.56
    1-chlorooctane 71.7
    1-chlorotetradecane 28.53
    n-nonane 16.43
    undecane 13.38
    tert-butylcyclohexane 29.4
    cyclooctane 16.79
    cyclopentanol 134.12
    tetrahydropyran 356.23
    tert-amyl methyl ether 147.59
    2,5,8-trioxanonane 339.61
    1-hexene 95.87
    2-isopropoxyethanol 181.03
    2,2,2-trifluoroethanol 111.09
    methyl butyrate 204.08

    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