(6S)-2-Methyl-6-(2-hydroxy-4-methylphenyl)-2-hepten-4-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    131651-38-2

    Molecular formula
    C15H20O2

    SMILES
    CC1=CC(=C(C=C1)[C@@H](C)CC(=O)C=C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 55.29%
    Woody 50.87%
    Floral 50.19%
    Fruity 48.85%
    Herbal 41.06%
    Spicy 40.68%
    Mint 36.27%
    Dry 35.64%
    Rose 32.13%
    Berry 28.3%

     

    Flavor
    Herbal 37.67%
    Bitter 29.3%
    Woody 26.2%
    Spicy 23.84%
    Minty 23.39%
    Phenolic 21.9%
    Heather 20.2%
    Genet 20.07%
    Broom 20.06%
    Leaves 19.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    10.13 (weak base)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point

    • 153.3 ˚C est.

  • Synonyms

    • 131651-38-2
    • (6S)-2-Methyl-6-(2-hydroxy-4-methylphenyl)-2-hepten-4-one
    • (6S)-6-(2-HYDROXY-4-METHYLPHENYL)-2-METHYLHEPT-2-EN-4-ONE
    • (6S)-6-(2-Hydroxy-4-methylphenyl)-2-methyl-2-hepten-4-one
    • Parahigginone
    • Y2SPU9L38G
    • orb1990834
    • DTXSID701198748
    • 2-Hepten-4-one, 6-(2-hydroxy-4-methylphenyl)-2-methyl-, (6S)-
    • 6-(2-Hydroxy-4-methylphenyl)-2-methyl-2-hepten-4-one, (6S)-
    • 131651-38-2

  • Applications

    The chiral aryl ketone (6S)-2-Methyl-6-(2-hydroxy-4-methylphenyl)-2-hepten-4-one (CAS 131651-38-2) has potential applications as a fragrance intermediate and odorant in perfumery, and may be used as a fragrance ingredient or fixative in cosmetics and personal care; it can be employed as a fragrance additive in household cleaning products; in industrial manufacturing it may serve as a chiral building block for specialty chemicals; and in coatings and inks it could be used to modify fragrance notes or contribute to scent profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2229.28
    methanol 3191.71
    isopropanol 1652.32
    water 0.74
    ethyl acetate 1039.39
    n-propanol 1349.14
    acetone 1946.3
    n-butanol 1120.6
    acetonitrile 1843.17
    DMF 1630.36
    toluene 266.18
    isobutanol 867.63
    1,4-dioxane 2520.56
    methyl acetate 842.43
    THF 3401.1
    2-butanone 935.6
    n-pentanol 732.67
    sec-butanol 849.77
    n-hexane 81.37
    ethylene glycol 132.99
    NMP 819.29
    cyclohexane 82.15
    DMSO 1128.78
    n-butyl acetate 608.75
    n-octanol 263.82
    chloroform 1161.62
    n-propyl acetate 475.76
    acetic acid 979.42
    dichloromethane 993.5
    cyclohexanone 1204.52
    propylene glycol 318.18
    isopropyl acetate 537.32
    DMAc 677.69
    2-ethoxyethanol 682.64
    isopentanol 755.04
    n-heptane 45.85
    ethyl formate 576.71
    1,2-dichloroethane 719.55
    n-hexanol 824.33
    2-methoxyethanol 1552.2
    isobutyl acetate 293.48
    tetrachloromethane 104.39
    n-pentyl acetate 303.03
    transcutol 1805.3
    n-heptanol 261.28
    ethylbenzene 124.25
    MIBK 483.64
    2-propoxyethanol 1071.53
    tert-butanol 1426.23
    MTBE 870.16
    2-butoxyethanol 424.05
    propionic acid 581.83
    o-xylene 120.04
    formic acid 289.04
    diethyl ether 1327.56
    m-xylene 185.08
    p-xylene 169.66
    chlorobenzene 328.34
    dimethyl carbonate 268.4
    n-octane 20.04
    formamide 474.77
    cyclopentanone 1423.21
    2-pentanone 914.58
    anisole 328.97
    cyclopentyl methyl ether 984.76
    gamma-butyrolactone 1457.6
    1-methoxy-2-propanol 1148.48
    pyridine 803.89
    3-pentanone 457.6
    furfural 763.16
    n-dodecane 18.03
    diethylene glycol 588.03
    diisopropyl ether 254.25
    tert-amyl alcohol 740.99
    acetylacetone 733.15
    n-hexadecane 21.13
    acetophenone 252.29
    methyl propionate 617.59
    isopentyl acetate 480.69
    trichloroethylene 1059.24
    n-nonanol 222.69
    cyclohexanol 707.79
    benzyl alcohol 290.04
    2-ethylhexanol 298.36
    isooctanol 195.68
    dipropyl ether 413.82
    1,2-dichlorobenzene 246.76
    ethyl lactate 194.02
    propylene carbonate 660.79
    n-methylformamide 869.8
    2-pentanol 703.25
    n-pentane 64.03
    1-propoxy-2-propanol 673.39
    1-methoxy-2-propyl acetate 527.82
    2-(2-methoxypropoxy) propanol 336.19
    mesitylene 111.56
    ε-caprolactone 849.36
    p-cymene 87.6
    epichlorohydrin 1529.74
    1,1,1-trichloroethane 582.67
    2-aminoethanol 473.66
    morpholine-4-carbaldehyde 999.22
    sulfolane 1012.79
    2,2,4-trimethylpentane 28.19
    2-methyltetrahydrofuran 1734.35
    n-hexyl acetate 473.06
    isooctane 28.86
    2-(2-butoxyethoxy)ethanol 541.28
    sec-butyl acetate 289.22
    tert-butyl acetate 539.35
    decalin 39.27
    glycerin 314.53
    diglyme 927.71
    acrylic acid 399.4
    isopropyl myristate 159.07
    n-butyric acid 1001.1
    acetyl acetate 469.08
    di(2-ethylhexyl) phthalate 135.26
    ethyl propionate 370.73
    nitromethane 1444.57
    1,2-diethoxyethane 641.5
    benzonitrile 366.44
    trioctyl phosphate 112.11
    1-bromopropane 463.29
    gamma-valerolactone 1538.27
    n-decanol 159.56
    triethyl phosphate 132.72
    4-methyl-2-pentanol 310.95
    propionitrile 851.48
    vinylene carbonate 543.36
    1,1,2-trichlorotrifluoroethane 593.2
    DMS 306.6
    cumene 92.25
    2-octanol 190.2
    2-hexanone 524.87
    octyl acetate 206.12
    limonene 145.38
    1,2-dimethoxyethane 1190.42
    ethyl orthosilicate 137.48
    tributyl phosphate 144.23
    diacetone alcohol 604.86
    N,N-dimethylaniline 190.74
    acrylonitrile 743.45
    aniline 404.56
    1,3-propanediol 730.65
    bromobenzene 277.77
    dibromomethane 629.73
    1,1,2,2-tetrachloroethane 831.25
    2-methyl-cyclohexyl acetate 242.65
    tetrabutyl urea 167.83
    diisobutyl methanol 157.6
    2-phenylethanol 346.48
    styrene 151.06
    dioctyl adipate 211.07
    dimethyl sulfate 289.93
    ethyl butyrate 335.17
    methyl lactate 269.69
    butyl lactate 235.65
    diethyl carbonate 212.29
    propanediol butyl ether 413.4
    triethyl orthoformate 225.16
    p-tert-butyltoluene 95.3
    methyl 4-tert-butylbenzoate 247.9
    morpholine 2911.44
    tert-butylamine 748.96
    n-dodecanol 116.89
    dimethoxymethane 1300.78
    ethylene carbonate 517.68
    cyrene 271.19
    2-ethoxyethyl acetate 413.83
    2-ethylhexyl acetate 336.83
    1,2,4-trichlorobenzene 280.61
    4-methylpyridine 814.83
    dibutyl ether 338.14
    2,6-dimethyl-4-heptanol 157.6
    DEF 649.71
    dimethyl isosorbide 525.29
    tetrachloroethylene 444.97
    eugenol 242.6
    triacetin 308.3
    span 80 321.63
    1,4-butanediol 244.57
    1,1-dichloroethane 788.49
    2-methyl-1-pentanol 458.38
    methyl formate 659.73
    2-methyl-1-butanol 635.74
    n-decane 33.74
    butyronitrile 976.7
    3,7-dimethyl-1-octanol 230.83
    1-chlorooctane 159.97
    1-chlorotetradecane 54.97
    n-nonane 32.98
    undecane 23.98
    tert-butylcyclohexane 43.32
    cyclooctane 22.59
    cyclopentanol 782.36
    tetrahydropyran 2171.87
    tert-amyl methyl ether 440.76
    2,5,8-trioxanonane 557.63
    1-hexene 335.37
    2-isopropoxyethanol 435.41
    2,2,2-trifluoroethanol 218.77
    methyl butyrate 488.22

    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