5-(2-Hydroxy-5-methylphenyl)-6-methyl-2-heptanone

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  • Identifiers

    CAS number
    30543-91-0

    Molecular formula
    C15H22O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 60.38%
    Dry 42.97%
    Spicy 40.43%
    Floral 36.92%
    Sweet 34.48%
    Animal 33.13%
    Balsamic 32.87%
    Fruity 32.39%
    Amber 32.27%
    Musk 31.2%

     

    Flavor
    Herbal 49.4%
    Woody 49.06%
    Floral 38.0%
    Spicy 34.56%
    Spice 30.27%
    Mild 28.78%
    Phenolic 23.22%
    Minty 22.03%
    Camphor 21.96%
    Warm 21.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    10.15 (weak base)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 149.28 ˚C est.

  • Synonyms

    • 5-(2-Hydroxy-5-methylphenyl)-6-methyl-2-heptanone
    • 30543-91-0
    • RefChem:101612
    • Sesquichamaenol
    • 5-(2-hydroxy-5-methylphenyl)-6-methylheptan-2-one
    • UFWXDPOVAJYDEP-UHFFFAOYSA-N
    • DTXSID301234873
    • 30543-91-0

  • Applications

    5-(2-Hydroxy-5-methylphenyl)-6-methyl-2-heptanone (CAS 30543-91-0) is primarily used as a fragrance ingredient and odorant. In perfumery, it provides a distinctive aromatic note and may function as a fragrance component or, in some formulations, as a fixative. It is also evaluated for use in cosmetics and personal care products (fragranced lotions, soaps, and cleaners) and in household products such as air fresheners and cleaning agents to impart a pleasant aroma. In industrial manufacturing, it can serve as an intermediate in the synthesis of other aroma compounds. Depending on regulatory constraints and formulation limits, it may be considered for flavor/aroma applications in food and beverage contexts, but such use is subject to applicable rules and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1256.34
    methanol 1385.89
    isopropanol 1097.14
    water 0.34
    ethyl acetate 563.03
    n-propanol 992.89
    acetone 877.86
    n-butanol 828.57
    acetonitrile 525.26
    DMF 868.35
    toluene 276.55
    isobutanol 615.22
    1,4-dioxane 1279.86
    methyl acetate 531.66
    THF 1528.89
    2-butanone 746.01
    n-pentanol 513.54
    sec-butanol 634.84
    n-hexane 25.23
    ethylene glycol 103.64
    NMP 387.9
    cyclohexane 39.43
    DMSO 666.53
    n-butyl acetate 425.05
    n-octanol 169.74
    chloroform 1002.91
    n-propyl acetate 285.23
    acetic acid 295.3
    dichloromethane 814.25
    cyclohexanone 738.62
    propylene glycol 275.49
    isopropyl acetate 303.77
    DMAc 560.45
    2-ethoxyethanol 483.69
    isopentanol 532.0
    n-heptane 13.83
    ethyl formate 336.63
    1,2-dichloroethane 525.38
    n-hexanol 597.63
    2-methoxyethanol 835.02
    isobutyl acetate 215.57
    tetrachloromethane 91.71
    n-pentyl acetate 185.26
    transcutol 844.36
    n-heptanol 191.82
    ethylbenzene 148.86
    MIBK 271.88
    2-propoxyethanol 714.57
    tert-butanol 943.89
    MTBE 536.04
    2-butoxyethanol 312.72
    propionic acid 310.41
    o-xylene 137.85
    formic acid 75.89
    diethyl ether 589.72
    m-xylene 170.13
    p-xylene 174.81
    chlorobenzene 259.07
    dimethyl carbonate 113.22
    n-octane 8.93
    formamide 142.92
    cyclopentanone 752.65
    2-pentanone 564.44
    anisole 288.21
    cyclopentyl methyl ether 417.5
    gamma-butyrolactone 639.17
    1-methoxy-2-propanol 680.1
    pyridine 613.71
    3-pentanone 332.11
    furfural 459.16
    n-dodecane 8.47
    diethylene glycol 406.56
    diisopropyl ether 103.75
    tert-amyl alcohol 534.36
    acetylacetone 391.43
    n-hexadecane 9.88
    acetophenone 226.23
    methyl propionate 360.57
    isopentyl acetate 354.32
    trichloroethylene 808.57
    n-nonanol 143.9
    cyclohexanol 429.7
    benzyl alcohol 286.42
    2-ethylhexanol 218.82
    isooctanol 142.0
    dipropyl ether 213.54
    1,2-dichlorobenzene 195.2
    ethyl lactate 136.19
    propylene carbonate 343.08
    n-methylformamide 362.75
    2-pentanol 426.09
    n-pentane 18.45
    1-propoxy-2-propanol 451.49
    1-methoxy-2-propyl acetate 323.23
    2-(2-methoxypropoxy) propanol 219.02
    mesitylene 84.44
    ε-caprolactone 508.6
    p-cymene 78.77
    epichlorohydrin 826.11
    1,1,1-trichloroethane 419.42
    2-aminoethanol 309.92
    morpholine-4-carbaldehyde 555.4
    sulfolane 506.78
    2,2,4-trimethylpentane 15.31
    2-methyltetrahydrofuran 828.76
    n-hexyl acetate 258.95
    isooctane 14.34
    2-(2-butoxyethoxy)ethanol 338.5
    sec-butyl acetate 193.61
    tert-butyl acetate 269.65
    decalin 24.12
    glycerin 234.19
    diglyme 558.26
    acrylic acid 193.37
    isopropyl myristate 94.02
    n-butyric acid 533.74
    acetyl acetate 210.3
    di(2-ethylhexyl) phthalate 103.31
    ethyl propionate 212.98
    nitromethane 434.97
    1,2-diethoxyethane 347.74
    benzonitrile 287.65
    trioctyl phosphate 76.21
    1-bromopropane 377.34
    gamma-valerolactone 865.39
    n-decanol 107.17
    triethyl phosphate 84.4
    4-methyl-2-pentanol 207.04
    propionitrile 471.32
    vinylene carbonate 286.73
    1,1,2-trichlorotrifluoroethane 381.52
    DMS 167.73
    cumene 91.99
    2-octanol 123.74
    2-hexanone 344.84
    octyl acetate 127.95
    limonene 110.07
    1,2-dimethoxyethane 739.03
    ethyl orthosilicate 86.07
    tributyl phosphate 86.3
    diacetone alcohol 345.97
    N,N-dimethylaniline 163.45
    acrylonitrile 422.23
    aniline 325.86
    1,3-propanediol 501.43
    bromobenzene 247.2
    dibromomethane 544.6
    1,1,2,2-tetrachloroethane 664.65
    2-methyl-cyclohexyl acetate 173.78
    tetrabutyl urea 108.53
    diisobutyl methanol 108.95
    2-phenylethanol 305.56
    styrene 172.32
    dioctyl adipate 128.47
    dimethyl sulfate 144.9
    ethyl butyrate 227.46
    methyl lactate 155.73
    butyl lactate 161.05
    diethyl carbonate 131.7
    propanediol butyl ether 294.03
    triethyl orthoformate 129.95
    p-tert-butyltoluene 77.33
    methyl 4-tert-butylbenzoate 180.56
    morpholine 1480.89
    tert-butylamine 426.92
    n-dodecanol 80.93
    dimethoxymethane 550.08
    ethylene carbonate 268.77
    cyrene 202.77
    2-ethoxyethyl acetate 259.68
    2-ethylhexyl acetate 245.56
    1,2,4-trichlorobenzene 225.83
    4-methylpyridine 623.61
    dibutyl ether 157.14
    2,6-dimethyl-4-heptanol 108.95
    DEF 378.45
    dimethyl isosorbide 317.6
    tetrachloroethylene 361.59
    eugenol 193.37
    triacetin 192.63
    span 80 207.44
    1,4-butanediol 213.66
    1,1-dichloroethane 606.44
    2-methyl-1-pentanol 356.09
    methyl formate 262.46
    2-methyl-1-butanol 453.56
    n-decane 15.5
    butyronitrile 546.74
    3,7-dimethyl-1-octanol 154.76
    1-chlorooctane 88.12
    1-chlorotetradecane 31.46
    n-nonane 14.08
    undecane 11.11
    tert-butylcyclohexane 24.47
    cyclooctane 10.36
    cyclopentanol 455.75
    tetrahydropyran 1199.0
    tert-amyl methyl ether 277.84
    2,5,8-trioxanonane 349.14
    1-hexene 184.56
    2-isopropoxyethanol 351.7
    2,2,2-trifluoroethanol 74.34
    methyl butyrate 310.51

    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