3,5-Dimethylcyclohex-2-en-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1123-09-7

    Molecular formula
    C8H12O

    SMILES
    CC1CC(=CC(=O)C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 68.71%
    Herbal 60.72%
    Sweet 58.71%
    Green 58.05%
    Spicy 44.4%
    Woody 44.27%
    Camphoreous 41.7%
    Tobacco 40.59%
    Musty 40.59%
    Phenolic 38.21%

     

    Flavor
    Fruity 60.01%
    Sweet 55.74%
    Phenolic 46.88%
    Tobacco 41.2%
    Caramel 41.02%
    Minty 40.94%
    Woody 36.73%
    Spicy 34.09%
    Spice 33.11%
    Green 32.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.76 (weak base)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    207°C

    Flash point

    • 59.43 ˚C est.

  • Synonyms

    • 3,5-Dimethyl-2-cyclohexen-1-one
    • 1123-09-7
    • 3,5-Dimethylcyclohex-2-en-1-one
    • 2-Cyclohexen-1-one, 3,5-dimethyl-
    • EINECS 214-369-2
    • AI3-21772
    • DTXSID20870848
    • NSC 845
    • NSC 10113
    • RefChem:487025
    • DTXCID70818533
    • 214-369-2
    • MFCD00001583
    • 2-Cyclohexen-1-one,5-dimethyl-
    • NSC845
    • 3,5-Dimethyl-2-cyclohexene-1-one
    • 3,5-dimethylcyclohexenone
    • 3,5-dimethyl-2-cyclohexenone
    • SCHEMBL1042381
    • NSC-845
    • BAA12309
    • NSC10113
    • 3,5-dimethyl-cyclohex-2-en-1-one
    • NSC-10113
    • AKOS015917649
    • BS-52097
    • 3,5-Dimethyl-2-cyclohexen-1-one, 98%
    • CS-0218032
    • NS00045280
    • ST51038564
    • EN300-98240
    • E78362
    • 1123-09-7

  • Applications

    3,5-Dimethylcyclohex-2-en-1-one (CAS 1123-09-7) is used primarily as a synthetic intermediate and fragrance component in the fragrance and cosmetics industries. It is commonly employed as a precursor or additive in perfume formulations and personal care products, contributing a distinctive cyclohexenone-type note. In industrial manufacturing, the compound may serve as a building block for other aroma-related compounds. It may also be evaluated as a starting material for developing new synthetic compounds in industrial chemistry, with uses limited by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1447.16
    methanol 1938.25
    isopropanol 960.77
    water 6.66
    ethyl acetate 783.12
    n-propanol 1080.29
    acetone 1243.67
    n-butanol 980.65
    acetonitrile 1302.0
    DMF 745.78
    toluene 395.58
    isobutanol 683.91
    1,4-dioxane 1601.67
    methyl acetate 750.02
    THF 2263.43
    2-butanone 790.3
    n-pentanol 591.74
    sec-butanol 704.77
    n-hexane 286.32
    ethylene glycol 280.47
    NMP 868.08
    cyclohexane 338.11
    DMSO 687.86
    n-butyl acetate 612.18
    n-octanol 367.58
    chloroform 1858.79
    n-propyl acetate 365.28
    acetic acid 1466.78
    dichloromethane 1247.37
    cyclohexanone 1135.23
    propylene glycol 313.86
    isopropyl acetate 446.07
    DMAc 411.6
    2-ethoxyethanol 496.23
    isopentanol 654.82
    n-heptane 165.76
    ethyl formate 502.39
    1,2-dichloroethane 762.6
    n-hexanol 1009.67
    2-methoxyethanol 976.08
    isobutyl acetate 242.07
    tetrachloromethane 312.07
    n-pentyl acetate 322.98
    transcutol 1853.57
    n-heptanol 319.28
    ethylbenzene 171.33
    MIBK 417.44
    2-propoxyethanol 1027.77
    tert-butanol 821.15
    MTBE 666.64
    2-butoxyethanol 426.83
    propionic acid 835.91
    o-xylene 204.0
    formic acid 473.65
    diethyl ether 1109.46
    m-xylene 272.04
    p-xylene 205.1
    chlorobenzene 501.17
    dimethyl carbonate 188.05
    n-octane 49.81
    formamide 384.69
    cyclopentanone 1158.29
    2-pentanone 757.2
    anisole 306.91
    cyclopentyl methyl ether 959.06
    gamma-butyrolactone 1286.63
    1-methoxy-2-propanol 703.23
    pyridine 784.21
    3-pentanone 451.28
    furfural 823.3
    n-dodecane 39.49
    diethylene glycol 664.34
    diisopropyl ether 289.8
    tert-amyl alcohol 566.78
    acetylacetone 590.44
    n-hexadecane 44.88
    acetophenone 242.39
    methyl propionate 507.85
    isopentyl acetate 499.63
    trichloroethylene 1321.02
    n-nonanol 283.96
    cyclohexanol 832.5
    benzyl alcohol 279.18
    2-ethylhexanol 425.75
    isooctanol 230.85
    dipropyl ether 474.89
    1,2-dichlorobenzene 353.56
    ethyl lactate 163.54
    propylene carbonate 631.85
    n-methylformamide 602.62
    2-pentanol 603.63
    n-pentane 266.1
    1-propoxy-2-propanol 663.85
    1-methoxy-2-propyl acetate 505.62
    2-(2-methoxypropoxy) propanol 366.51
    mesitylene 166.03
    ε-caprolactone 887.29
    p-cymene 129.79
    epichlorohydrin 1209.37
    1,1,1-trichloroethane 850.25
    2-aminoethanol 493.97
    morpholine-4-carbaldehyde 859.35
    sulfolane 954.63
    2,2,4-trimethylpentane 76.25
    2-methyltetrahydrofuran 1510.86
    n-hexyl acetate 593.9
    isooctane 78.73
    2-(2-butoxyethoxy)ethanol 574.0
    sec-butyl acetate 250.04
    tert-butyl acetate 449.43
    decalin 100.53
    glycerin 360.59
    diglyme 802.75
    acrylic acid 656.9
    isopropyl myristate 185.95
    n-butyric acid 943.21
    acetyl acetate 469.75
    di(2-ethylhexyl) phthalate 163.19
    ethyl propionate 290.18
    nitromethane 1348.86
    1,2-diethoxyethane 610.96
    benzonitrile 465.15
    trioctyl phosphate 132.62
    1-bromopropane 708.31
    gamma-valerolactone 1295.64
    n-decanol 200.46
    triethyl phosphate 125.03
    4-methyl-2-pentanol 295.81
    propionitrile 779.62
    vinylene carbonate 543.88
    1,1,2-trichlorotrifluoroethane 612.74
    DMS 324.12
    cumene 115.12
    2-octanol 221.13
    2-hexanone 464.44
    octyl acetate 245.29
    limonene 238.12
    1,2-dimethoxyethane 762.83
    ethyl orthosilicate 135.91
    tributyl phosphate 163.1
    diacetone alcohol 477.72
    N,N-dimethylaniline 173.17
    acrylonitrile 752.21
    aniline 451.91
    1,3-propanediol 610.01
    bromobenzene 482.47
    dibromomethane 966.09
    1,1,2,2-tetrachloroethane 983.55
    2-methyl-cyclohexyl acetate 267.54
    tetrabutyl urea 186.46
    diisobutyl methanol 200.35
    2-phenylethanol 383.38
    styrene 201.81
    dioctyl adipate 221.94
    dimethyl sulfate 235.97
    ethyl butyrate 324.27
    methyl lactate 231.13
    butyl lactate 232.06
    diethyl carbonate 187.68
    propanediol butyl ether 415.79
    triethyl orthoformate 217.7
    p-tert-butyltoluene 129.47
    methyl 4-tert-butylbenzoate 261.97
    morpholine 1609.57
    tert-butylamine 589.43
    n-dodecanol 151.11
    dimethoxymethane 650.56
    ethylene carbonate 493.45
    cyrene 241.16
    2-ethoxyethyl acetate 409.99
    2-ethylhexyl acetate 375.21
    1,2,4-trichlorobenzene 416.41
    4-methylpyridine 764.87
    dibutyl ether 372.75
    2,6-dimethyl-4-heptanol 200.35
    DEF 542.93
    dimethyl isosorbide 522.4
    tetrachloroethylene 659.14
    eugenol 256.99
    triacetin 341.68
    span 80 369.46
    1,4-butanediol 235.13
    1,1-dichloroethane 981.76
    2-methyl-1-pentanol 432.48
    methyl formate 492.66
    2-methyl-1-butanol 630.31
    n-decane 69.35
    butyronitrile 864.33
    3,7-dimethyl-1-octanol 314.67
    1-chlorooctane 240.83
    1-chlorotetradecane 88.87
    n-nonane 75.84
    undecane 50.65
    tert-butylcyclohexane 96.86
    cyclooctane 107.85
    cyclopentanol 820.29
    tetrahydropyran 1685.5
    tert-amyl methyl ether 439.35
    2,5,8-trioxanonane 505.91
    1-hexene 560.92
    2-isopropoxyethanol 354.91
    2,2,2-trifluoroethanol 364.9
    methyl butyrate 386.2

    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