2-Methyl-6-(4-methylphenyl)hept-1-en-3-one

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  • Identifiers

    CAS number
    86981-84-2

    Molecular formula
    C15H20O

    SMILES
    CC1=CC=C(C=C1)C(C)CCC(=O)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 75.89%
    Fruity 54.55%
    Woody 45.38%
    Sweet 42.16%
    Rose 40.09%
    Fresh 38.53%
    Dry 35.75%
    Powdery 33.37%
    Green 32.61%
    Berry 30.67%

     

    Flavor
    Herbal 55.36%
    Woody 35.59%
    Spicy 30.81%
    Herb 27.07%
    Floral 25.39%
    Jasmin 21.99%
    Spice 20.1%
    Outdoor 19.8%
    Genet 19.69%
    Valerian 19.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.95 (neutral)

    Molecular weight
    216.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point

    • 119.9 ˚C est.

  • Synonyms

    • 1,3,5,11-Bisabolatetraen-10-one
    • 2-Methyl-6-(4-methylphenyl)hept-1-en-3-one
    • 86981-84-2
    • DTXSID50833087
    • 2-Methyl-6-(4-methylphenyl)-1-hepten-3-one
    • 86981-84-2

  • Applications

    2-Methyl-6-(4-methylphenyl)hept-1-en-3-one (CAS 86981-84-2) is primarily used as an odorant and fragrance ingredient in the fragrance industry; it is applied in cosmetics/personal care formulations to impart scent, and in household products such as cleaners and air fresheners to provide fragrance; it also serves as a fragrance component in coatings/inks and can function as an intermediate in industrial fragrance synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 775.55
    methanol 721.76
    isopropanol 486.66
    water 0.21
    ethyl acetate 1795.46
    n-propanol 587.64
    acetone 535.89
    n-butanol 546.44
    acetonitrile 799.39
    DMF 431.18
    toluene 708.06
    isobutanol 328.29
    1,4-dioxane 2033.81
    methyl acetate 1080.19
    THF 1169.6
    2-butanone 963.72
    n-pentanol 437.69
    sec-butanol 428.07
    n-hexane 71.97
    ethylene glycol 28.07
    NMP 236.86
    cyclohexane 77.41
    DMSO 238.26
    n-butyl acetate 1166.02
    n-octanol 134.66
    chloroform 2038.1
    n-propyl acetate 851.23
    acetic acid 319.66
    dichloromethane 1974.26
    cyclohexanone 938.26
    propylene glycol 74.01
    isopropyl acetate 854.97
    DMAc 631.17
    2-ethoxyethanol 635.26
    isopentanol 508.05
    n-heptane 32.82
    ethyl formate 512.2
    1,2-dichloroethane 1162.47
    n-hexanol 507.09
    2-methoxyethanol 706.58
    isobutyl acetate 540.2
    tetrachloromethane 216.07
    n-pentyl acetate 388.69
    transcutol 2777.59
    n-heptanol 171.64
    ethylbenzene 433.6
    MIBK 463.37
    2-propoxyethanol 785.57
    tert-butanol 628.03
    MTBE 1186.7
    2-butoxyethanol 358.41
    propionic acid 299.93
    o-xylene 333.28
    formic acid 68.94
    diethyl ether 1591.85
    m-xylene 385.81
    p-xylene 465.94
    chlorobenzene 615.43
    dimethyl carbonate 196.88
    n-octane 15.67
    formamide 181.32
    cyclopentanone 637.87
    2-pentanone 788.65
    anisole 831.8
    cyclopentyl methyl ether 498.4
    gamma-butyrolactone 633.12
    1-methoxy-2-propanol 506.13
    pyridine 1296.16
    3-pentanone 582.51
    furfural 656.93
    n-dodecane 11.09
    diethylene glycol 286.55
    diisopropyl ether 299.75
    tert-amyl alcohol 554.62
    acetylacetone 682.3
    n-hexadecane 13.11
    acetophenone 555.75
    methyl propionate 712.46
    isopentyl acetate 966.38
    trichloroethylene 1956.76
    n-nonanol 133.66
    cyclohexanol 321.88
    benzyl alcohol 451.58
    2-ethylhexanol 308.06
    isooctanol 158.55
    dipropyl ether 548.9
    1,2-dichlorobenzene 518.83
    ethyl lactate 178.69
    propylene carbonate 453.02
    n-methylformamide 288.77
    2-pentanol 368.18
    n-pentane 38.68
    1-propoxy-2-propanol 578.29
    1-methoxy-2-propyl acetate 856.9
    2-(2-methoxypropoxy) propanol 414.98
    mesitylene 207.57
    ε-caprolactone 807.04
    p-cymene 171.23
    epichlorohydrin 1191.34
    1,1,1-trichloroethane 962.75
    2-aminoethanol 133.49
    morpholine-4-carbaldehyde 712.31
    sulfolane 361.15
    2,2,4-trimethylpentane 35.78
    2-methyltetrahydrofuran 909.7
    n-hexyl acetate 460.09
    isooctane 31.11
    2-(2-butoxyethoxy)ethanol 599.71
    sec-butyl acetate 669.51
    tert-butyl acetate 757.83
    decalin 61.59
    glycerin 80.31
    diglyme 1246.48
    acrylic acid 173.65
    isopropyl myristate 180.99
    n-butyric acid 662.37
    acetyl acetate 622.51
    di(2-ethylhexyl) phthalate 151.52
    ethyl propionate 695.59
    nitromethane 670.29
    1,2-diethoxyethane 1430.49
    benzonitrile 557.29
    trioctyl phosphate 87.67
    1-bromopropane 731.04
    gamma-valerolactone 1049.1
    n-decanol 96.93
    triethyl phosphate 201.39
    4-methyl-2-pentanol 230.29
    propionitrile 646.29
    vinylene carbonate 477.93
    1,1,2-trichlorotrifluoroethane 432.62
    DMS 401.55
    cumene 238.59
    2-octanol 111.62
    2-hexanone 679.69
    octyl acetate 202.61
    limonene 212.79
    1,2-dimethoxyethane 1393.03
    ethyl orthosilicate 225.85
    tributyl phosphate 137.15
    diacetone alcohol 490.64
    N,N-dimethylaniline 421.61
    acrylonitrile 626.23
    aniline 488.77
    1,3-propanediol 280.69
    bromobenzene 679.43
    dibromomethane 1186.04
    1,1,2,2-tetrachloroethane 1362.1
    2-methyl-cyclohexyl acetate 410.65
    tetrabutyl urea 148.22
    diisobutyl methanol 172.39
    2-phenylethanol 459.99
    styrene 552.25
    dioctyl adipate 255.69
    dimethyl sulfate 168.79
    ethyl butyrate 790.74
    methyl lactate 144.67
    butyl lactate 227.33
    diethyl carbonate 424.24
    propanediol butyl ether 236.43
    triethyl orthoformate 431.2
    p-tert-butyltoluene 163.85
    methyl 4-tert-butylbenzoate 330.11
    morpholine 2003.15
    tert-butylamine 389.59
    n-dodecanol 71.32
    dimethoxymethane 601.36
    ethylene carbonate 420.0
    cyrene 256.31
    2-ethoxyethyl acetate 709.48
    2-ethylhexyl acetate 721.5
    1,2,4-trichlorobenzene 548.69
    4-methylpyridine 1236.19
    dibutyl ether 372.08
    2,6-dimethyl-4-heptanol 172.39
    DEF 748.25
    dimethyl isosorbide 663.82
    tetrachloroethylene 853.43
    eugenol 333.15
    triacetin 409.38
    span 80 276.18
    1,4-butanediol 114.65
    1,1-dichloroethane 1146.63
    2-methyl-1-pentanol 444.4
    methyl formate 187.11
    2-methyl-1-butanol 437.75
    n-decane 22.14
    butyronitrile 741.97
    3,7-dimethyl-1-octanol 193.16
    1-chlorooctane 124.32
    1-chlorotetradecane 41.83
    n-nonane 19.89
    undecane 14.93
    tert-butylcyclohexane 69.05
    cyclooctane 25.34
    cyclopentanol 180.66
    tetrahydropyran 1608.85
    tert-amyl methyl ether 653.37
    2,5,8-trioxanonane 747.8
    1-hexene 417.41
    2-isopropoxyethanol 457.56
    2,2,2-trifluoroethanol 76.54
    methyl butyrate 873.38

    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