2-(2-Hydroxy-4-methylphenyl)-3-pentanone

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  • Identifiers

    CAS number
    86843-15-4

    Molecular formula
    C12H16O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 43.12%
    Sweet 41.85%
    Woody 38.33%
    Floral 34.3%
    Spicy 33.25%
    Dry 32.88%
    Phenolic 29.77%
    Vanilla 27.74%
    Powdery 26.07%
    Animal 25.69%

     

    Flavor
    Bitter 29.74%
    Herbal 26.74%
    Phenolic 24.27%
    Spicy 23.03%
    Mild 22.0%
    Creosote 20.89%
    Fruity 20.78%
    Woody 20.56%
    Parsley 20.29%
    Leaves 20.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    10.23 (weak base)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Melting point expt.

    • 71 - 72 °C

    Flash point

    • 138.71 ˚C est.

  • Synonyms

    • 2-(2-Hydroxy-4-methylphenyl)-3-pentanone
    • 86843-15-4
    • RefChem:250720
    • 2-(2-hydroxy-4-methylphenyl)pentan-3-one
    • CHEBI:179897
    • XKKGHYTULRMGQQ-UHFFFAOYSA-N
    • DTXSID201275658
    • 2-(2-Hydroxy-4-methyl-phenyl)-pentan-3-one
    • 86843-15-4

  • Applications

    2-(2-Hydroxy-4-methylphenyl)-3-pentanone (CAS 86843-15-4) is used as an aromatic building block and odorant in fragrance chemistry, often serving as a fragrance ingredient or a synthesis intermediate in perfumery. It may also find application in cosmetics and personal care formulations as a fragrance component, in household products to impart scent in cleaners and air fresheners, as an industrial manufacturing intermediate for synthesizing other aromatic compounds, and as a fragrance-oriented additive in coatings and inks. Use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 951.21
    methanol 1649.76
    isopropanol 762.04
    water 1.61
    ethyl acetate 666.78
    n-propanol 737.32
    acetone 750.49
    n-butanol 615.09
    acetonitrile 1068.09
    DMF 1464.87
    toluene 235.9
    isobutanol 476.93
    1,4-dioxane 1507.3
    methyl acetate 703.27
    THF 1105.78
    2-butanone 675.16
    n-pentanol 396.15
    sec-butanol 479.36
    n-hexane 26.99
    ethylene glycol 110.61
    NMP 588.78
    cyclohexane 36.32
    DMSO 790.93
    n-butyl acetate 560.83
    n-octanol 155.63
    chloroform 1309.95
    n-propyl acetate 387.17
    acetic acid 443.95
    dichloromethane 1251.29
    cyclohexanone 803.96
    propylene glycol 135.23
    isopropyl acetate 339.16
    DMAc 715.97
    2-ethoxyethanol 485.3
    isopentanol 497.58
    n-heptane 13.73
    ethyl formate 435.98
    1,2-dichloroethane 883.17
    n-hexanol 440.8
    2-methoxyethanol 799.66
    isobutyl acetate 231.08
    tetrachloromethane 146.33
    n-pentyl acetate 223.6
    transcutol 1114.51
    n-heptanol 165.34
    ethylbenzene 154.61
    MIBK 294.72
    2-propoxyethanol 595.28
    tert-butanol 908.07
    MTBE 642.92
    2-butoxyethanol 281.23
    propionic acid 377.51
    o-xylene 150.12
    formic acid 194.7
    diethyl ether 701.52
    m-xylene 164.88
    p-xylene 187.49
    chlorobenzene 350.93
    dimethyl carbonate 193.64
    n-octane 9.52
    formamide 444.89
    cyclopentanone 835.73
    2-pentanone 532.46
    anisole 358.77
    cyclopentyl methyl ether 398.22
    gamma-butyrolactone 889.62
    1-methoxy-2-propanol 526.8
    pyridine 714.74
    3-pentanone 396.38
    furfural 648.76
    n-dodecane 8.75
    diethylene glycol 382.85
    diisopropyl ether 126.42
    tert-amyl alcohol 558.87
    acetylacetone 453.13
    n-hexadecane 10.28
    acetophenone 277.3
    methyl propionate 438.54
    isopentyl acetate 437.55
    trichloroethylene 1333.41
    n-nonanol 132.3
    cyclohexanol 379.1
    benzyl alcohol 283.06
    2-ethylhexanol 195.62
    isooctanol 132.06
    dipropyl ether 202.95
    1,2-dichlorobenzene 277.93
    ethyl lactate 127.3
    propylene carbonate 428.41
    n-methylformamide 714.04
    2-pentanol 341.71
    n-pentane 20.28
    1-propoxy-2-propanol 353.5
    1-methoxy-2-propyl acetate 342.82
    2-(2-methoxypropoxy) propanol 219.51
    mesitylene 93.23
    ε-caprolactone 588.2
    p-cymene 76.67
    epichlorohydrin 1036.44
    1,1,1-trichloroethane 602.57
    2-aminoethanol 283.17
    morpholine-4-carbaldehyde 730.43
    sulfolane 725.59
    2,2,4-trimethylpentane 18.9
    2-methyltetrahydrofuran 731.43
    n-hexyl acetate 300.97
    isooctane 15.93
    2-(2-butoxyethoxy)ethanol 340.29
    sec-butyl acetate 231.81
    tert-butyl acetate 328.76
    decalin 27.26
    glycerin 176.84
    diglyme 635.94
    acrylic acid 279.84
    isopropyl myristate 97.44
    n-butyric acid 554.83
    acetyl acetate 289.49
    di(2-ethylhexyl) phthalate 94.33
    ethyl propionate 281.05
    nitromethane 915.92
    1,2-diethoxyethane 452.49
    benzonitrile 358.33
    trioctyl phosphate 71.44
    1-bromopropane 424.41
    gamma-valerolactone 932.42
    n-decanol 93.96
    triethyl phosphate 105.34
    4-methyl-2-pentanol 180.36
    propionitrile 680.89
    vinylene carbonate 436.87
    1,1,2-trichlorotrifluoroethane 454.65
    DMS 228.17
    cumene 99.99
    2-octanol 117.33
    2-hexanone 369.55
    octyl acetate 129.6
    limonene 106.48
    1,2-dimethoxyethane 859.07
    ethyl orthosilicate 102.66
    tributyl phosphate 89.62
    diacetone alcohol 349.61
    N,N-dimethylaniline 197.54
    acrylonitrile 690.65
    aniline 359.73
    1,3-propanediol 462.07
    bromobenzene 328.21
    dibromomethane 779.91
    1,1,2,2-tetrachloroethane 975.89
    2-methyl-cyclohexyl acetate 173.98
    tetrabutyl urea 112.84
    diisobutyl methanol 98.87
    2-phenylethanol 275.79
    styrene 196.67
    dioctyl adipate 126.35
    dimethyl sulfate 254.72
    ethyl butyrate 260.89
    methyl lactate 154.73
    butyl lactate 157.36
    diethyl carbonate 174.33
    propanediol butyl ether 224.12
    triethyl orthoformate 153.22
    p-tert-butyltoluene 76.79
    methyl 4-tert-butylbenzoate 191.12
    morpholine 1442.69
    tert-butylamine 481.02
    n-dodecanol 68.15
    dimethoxymethane 690.74
    ethylene carbonate 377.92
    cyrene 213.61
    2-ethoxyethyl acetate 314.72
    2-ethylhexyl acetate 309.62
    1,2,4-trichlorobenzene 310.99
    4-methylpyridine 687.99
    dibutyl ether 180.07
    2,6-dimethyl-4-heptanol 98.87
    DEF 547.88
    dimethyl isosorbide 350.47
    tetrachloroethylene 587.29
    eugenol 212.26
    triacetin 202.97
    span 80 176.21
    1,4-butanediol 166.48
    1,1-dichloroethane 839.44
    2-methyl-1-pentanol 334.27
    methyl formate 500.19
    2-methyl-1-butanol 425.56
    n-decane 15.86
    butyronitrile 655.33
    3,7-dimethyl-1-octanol 136.31
    1-chlorooctane 93.27
    1-chlorotetradecane 32.72
    n-nonane 14.07
    undecane 11.56
    tert-butylcyclohexane 29.03
    cyclooctane 9.66
    cyclopentanol 341.62
    tetrahydropyran 1068.49
    tert-amyl methyl ether 334.49
    2,5,8-trioxanonane 381.16
    1-hexene 179.26
    2-isopropoxyethanol 324.74
    2,2,2-trifluoroethanol 163.81
    methyl butyrate 419.92

    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