3-Methylcyclohex-3-en-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    31883-98-4

    Molecular formula
    C7H10O

    SMILES
    CC1=CCCC(=O)C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 66.18%
    Fruity 45.87%
    Sweet 45.7%
    Ketonic 42.77%
    Herbal 42.45%
    Tobacco 39.53%
    Caramellic 38.39%
    Nutty 38.07%
    Coumarinic 37.7%
    Green 37.56%

     

    Flavor
    Fruity 46.4%
    Minty 45.95%
    Phenolic 38.08%
    Caramel 34.38%
    Fatty 30.03%
    Sweet 29.7%
    Spice 28.74%
    Cherry 28.24%
    Camphor 26.0%
    Tobacco 24.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.5 (weak base)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    176°C

    Flash point

    • 49.87 ˚C est.

  • Synonyms

    • 3-Methylcyclohex-3-en-1-one
    • 31883-98-4
    • 3-Methyl-3-cyclohexen-1-one
    • 3-Cyclohexen-1-one, 3-methyl-
    • EINECS 250-855-0
    • DTXSID50185735
    • RefChem:504187
    • DTXCID90108226
    • 250-855-0
    • 3-Methylcyclohex-3-enone
    • MFCD00049189
    • SCHEMBL592826
    • CS-0227205
    • NS00029190
    • D79894
    • 31883-98-4

  • Applications

    3-Methylcyclohex-3-en-1-one (CAS 31883-98-4) is used as an intermediate and fragrance ingredient in aroma-chemical design. In practice, it is commonly employed as a building block for the synthesis of fragrance compounds and can serve as a fragrance component in perfumery, cosmetics, and other personal-care formulations. It is also used in household cleaning products as an odorant ingredient, and is evaluated as a building block for industrial-scale aroma-chemical production. In the plastics, coatings, and inks sectors, it can be used as a fragrance additive or precursor for scent-release formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 713.96
    methanol 792.47
    isopropanol 506.3
    water 10.11
    ethyl acetate 375.82
    n-propanol 499.58
    acetone 506.24
    n-butanol 427.45
    acetonitrile 538.42
    DMF 492.89
    toluene 161.47
    isobutanol 315.42
    1,4-dioxane 822.96
    methyl acetate 372.88
    THF 739.8
    2-butanone 367.43
    n-pentanol 306.96
    sec-butanol 372.75
    n-hexane 106.2
    ethylene glycol 166.49
    NMP 502.94
    cyclohexane 96.46
    DMSO 424.6
    n-butyl acetate 252.56
    n-octanol 220.43
    chloroform 1273.77
    n-propyl acetate 180.48
    acetic acid 795.66
    dichloromethane 731.47
    cyclohexanone 449.9
    propylene glycol 207.27
    isopropyl acetate 197.85
    DMAc 350.66
    2-ethoxyethanol 345.84
    isopentanol 316.79
    n-heptane 65.44
    ethyl formate 200.76
    1,2-dichloroethane 352.04
    n-hexanol 393.27
    2-methoxyethanol 558.0
    isobutyl acetate 121.41
    tetrachloromethane 172.69
    n-pentyl acetate 183.63
    transcutol 1736.53
    n-heptanol 181.93
    ethylbenzene 82.66
    MIBK 179.03
    2-propoxyethanol 504.57
    tert-butanol 466.57
    MTBE 299.58
    2-butoxyethanol 288.81
    propionic acid 447.24
    o-xylene 111.04
    formic acid 297.83
    diethyl ether 458.81
    m-xylene 125.6
    p-xylene 109.5
    chlorobenzene 231.98
    dimethyl carbonate 99.27
    n-octane 23.53
    formamide 295.12
    cyclopentanone 479.81
    2-pentanone 305.5
    anisole 194.65
    cyclopentyl methyl ether 350.91
    gamma-butyrolactone 541.15
    1-methoxy-2-propanol 419.82
    pyridine 442.2
    3-pentanone 226.59
    furfural 436.85
    n-dodecane 20.85
    diethylene glycol 395.65
    diisopropyl ether 121.98
    tert-amyl alcohol 340.23
    acetylacetone 288.56
    n-hexadecane 22.8
    acetophenone 163.32
    methyl propionate 251.58
    isopentyl acetate 203.54
    trichloroethylene 688.4
    n-nonanol 185.44
    cyclohexanol 323.84
    benzyl alcohol 173.35
    2-ethylhexanol 189.65
    isooctanol 135.89
    dipropyl ether 209.11
    1,2-dichlorobenzene 192.86
    ethyl lactate 103.24
    propylene carbonate 274.35
    n-methylformamide 308.09
    2-pentanol 286.82
    n-pentane 90.4
    1-propoxy-2-propanol 355.26
    1-methoxy-2-propyl acetate 232.38
    2-(2-methoxypropoxy) propanol 284.47
    mesitylene 77.89
    ε-caprolactone 391.69
    p-cymene 67.85
    epichlorohydrin 487.51
    1,1,1-trichloroethane 418.38
    2-aminoethanol 323.84
    morpholine-4-carbaldehyde 536.86
    sulfolane 445.92
    2,2,4-trimethylpentane 36.97
    2-methyltetrahydrofuran 559.83
    n-hexyl acetate 310.69
    isooctane 30.39
    2-(2-butoxyethoxy)ethanol 434.63
    sec-butyl acetate 125.7
    tert-butyl acetate 198.78
    decalin 47.57
    glycerin 271.43
    diglyme 607.09
    acrylic acid 383.03
    isopropyl myristate 110.19
    n-butyric acid 424.15
    acetyl acetate 224.94
    di(2-ethylhexyl) phthalate 101.45
    ethyl propionate 154.59
    nitromethane 748.53
    1,2-diethoxyethane 407.27
    benzonitrile 243.99
    trioctyl phosphate 73.98
    1-bromopropane 301.9
    gamma-valerolactone 599.07
    n-decanol 131.63
    triethyl phosphate 77.23
    4-methyl-2-pentanol 152.18
    propionitrile 331.66
    vinylene carbonate 260.22
    1,1,2-trichlorotrifluoroethane 387.06
    DMS 189.76
    cumene 70.68
    2-octanol 123.47
    2-hexanone 221.13
    octyl acetate 148.66
    limonene 113.11
    1,2-dimethoxyethane 407.61
    ethyl orthosilicate 81.22
    tributyl phosphate 93.65
    diacetone alcohol 252.78
    N,N-dimethylaniline 127.78
    acrylonitrile 348.29
    aniline 257.42
    1,3-propanediol 366.59
    bromobenzene 226.6
    dibromomethane 527.47
    1,1,2,2-tetrachloroethane 548.72
    2-methyl-cyclohexyl acetate 136.11
    tetrabutyl urea 111.65
    diisobutyl methanol 100.17
    2-phenylethanol 201.46
    styrene 103.21
    dioctyl adipate 145.9
    dimethyl sulfate 136.09
    ethyl butyrate 156.4
    methyl lactate 146.78
    butyl lactate 145.4
    diethyl carbonate 97.96
    propanediol butyl ether 302.37
    triethyl orthoformate 117.31
    p-tert-butyltoluene 67.52
    methyl 4-tert-butylbenzoate 173.27
    morpholine 785.28
    tert-butylamine 328.74
    n-dodecanol 95.69
    dimethoxymethane 283.5
    ethylene carbonate 215.29
    cyrene 179.43
    2-ethoxyethyl acetate 254.38
    2-ethylhexyl acetate 156.84
    1,2,4-trichlorobenzene 238.59
    4-methylpyridine 364.64
    dibutyl ether 217.22
    2,6-dimethyl-4-heptanol 100.17
    DEF 296.24
    dimethyl isosorbide 334.36
    tetrachloroethylene 364.22
    eugenol 179.83
    triacetin 248.24
    span 80 267.5
    1,4-butanediol 161.14
    1,1-dichloroethane 508.73
    2-methyl-1-pentanol 238.26
    methyl formate 197.7
    2-methyl-1-butanol 297.16
    n-decane 35.93
    butyronitrile 340.7
    3,7-dimethyl-1-octanol 185.36
    1-chlorooctane 122.38
    1-chlorotetradecane 49.25
    n-nonane 36.36
    undecane 26.33
    tert-butylcyclohexane 47.13
    cyclooctane 35.08
    cyclopentanol 343.15
    tetrahydropyran 636.34
    tert-amyl methyl ether 221.07
    2,5,8-trioxanonane 419.78
    1-hexene 232.93
    2-isopropoxyethanol 237.93
    2,2,2-trifluoroethanol 222.83
    methyl butyrate 186.36

    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