4-Hydroxy-6-methyl-2-heptanone

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  • Identifiers

    CAS number
    57548-36-4

    Molecular formula
    C8H16O2

    SMILES
    CC(C)CC(CC(=O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 57.92%
    Sweet 54.78%
    Green 44.82%
    Oily 38.51%
    Herbal 35.53%
    Earthy 35.23%
    Fermented 32.98%
    Creamy 29.71%
    Musty 29.55%
    Cheesy 29.08%

     

    Flavor
    Fruity 53.8%
    Tropical 37.25%
    Green 30.14%
    Oily 29.04%
    Herbal 28.82%
    Cheese 25.75%
    Sweaty 24.62%
    Box tree 22.95%
    Cheesy 22.04%
    Yeasty 21.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.58 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    209°C

    Flash point

    • 89.56 ˚C est.

  • Synonyms

    • 4-Hydroxy-6-methyl-2-heptanone
    • Fema No. 4784
    • 2-Heptanone, 4-hydroxy-6-methyl-
    • 57548-36-4
    • 8L7AQ2787O
    • RefChem:1070800
    • 4-hydroxy-6-methylheptan-2-one
    • UNII-8L7AQ2787O
    • SCHEMBL2470752
    • DTXSID30474412
    • 57548-36-4

  • Applications

    4-Hydroxy-6-methyl-2-heptanone (CAS 57548-36-4) is primarily used in fragrance chemistry as an odorant and fragrance ingredient, contributing subtle fruity/floral notes in perfumery and cosmetic formulations. It is often employed as an intermediate in the synthesis of more complex aroma compounds, enabling customization of scent profiles. In household products, it may function as a perfuming agent to impart fresh aromas. In coatings and inks, it can provide odor characteristics during formulation. In industrial manufacturing, it is used as a chemical intermediate for fragrance-related compounds, with use subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1457.22
    methanol 2430.05
    isopropanol 915.68
    water 64.72
    ethyl acetate 206.78
    n-propanol 835.37
    acetone 464.75
    n-butanol 686.68
    acetonitrile 340.0
    DMF 629.33
    toluene 47.35
    isobutanol 481.04
    1,4-dioxane 830.89
    methyl acetate 216.59
    THF 1174.8
    2-butanone 215.74
    n-pentanol 340.73
    sec-butanol 515.87
    n-hexane 59.82
    ethylene glycol 550.58
    NMP 605.52
    cyclohexane 96.5
    DMSO 518.79
    n-butyl acetate 199.61
    n-octanol 252.04
    chloroform 523.17
    n-propyl acetate 131.56
    acetic acid 1443.85
    dichloromethane 319.48
    cyclohexanone 507.16
    propylene glycol 697.19
    isopropyl acetate 128.5
    DMAc 385.5
    2-ethoxyethanol 402.41
    isopentanol 391.56
    n-heptane 60.48
    ethyl formate 252.67
    1,2-dichloroethane 167.5
    n-hexanol 560.77
    2-methoxyethanol 989.28
    isobutyl acetate 95.92
    tetrachloromethane 92.88
    n-pentyl acetate 130.46
    transcutol 1032.42
    n-heptanol 211.95
    ethylbenzene 38.78
    MIBK 125.46
    2-propoxyethanol 670.0
    tert-butanol 737.02
    MTBE 230.95
    2-butoxyethanol 307.25
    propionic acid 591.98
    o-xylene 52.4
    formic acid 728.58
    diethyl ether 242.02
    m-xylene 54.04
    p-xylene 57.89
    chlorobenzene 93.72
    dimethyl carbonate 79.67
    n-octane 17.32
    formamide 401.38
    cyclopentanone 518.05
    2-pentanone 201.09
    anisole 112.0
    cyclopentyl methyl ether 340.82
    gamma-butyrolactone 644.52
    1-methoxy-2-propanol 620.84
    pyridine 228.03
    3-pentanone 121.76
    furfural 490.04
    n-dodecane 15.57
    diethylene glycol 632.45
    diisopropyl ether 67.1
    tert-amyl alcohol 445.99
    acetylacetone 213.36
    n-hexadecane 16.66
    acetophenone 110.45
    methyl propionate 167.66
    isopentyl acetate 161.34
    trichloroethylene 307.55
    n-nonanol 202.09
    cyclohexanol 537.18
    benzyl alcohol 150.03
    2-ethylhexanol 225.94
    isooctanol 139.24
    dipropyl ether 193.59
    1,2-dichlorobenzene 99.94
    ethyl lactate 120.29
    propylene carbonate 370.71
    n-methylformamide 433.83
    2-pentanol 326.26
    n-pentane 62.4
    1-propoxy-2-propanol 436.13
    1-methoxy-2-propyl acetate 204.62
    2-(2-methoxypropoxy) propanol 271.98
    mesitylene 41.3
    ε-caprolactone 453.12
    p-cymene 57.09
    epichlorohydrin 438.66
    1,1,1-trichloroethane 172.9
    2-aminoethanol 848.49
    morpholine-4-carbaldehyde 645.21
    sulfolane 593.86
    2,2,4-trimethylpentane 27.16
    2-methyltetrahydrofuran 595.56
    n-hexyl acetate 259.0
    isooctane 20.0
    2-(2-butoxyethoxy)ethanol 425.01
    sec-butyl acetate 81.6
    tert-butyl acetate 152.97
    decalin 30.57
    glycerin 779.74
    diglyme 542.39
    acrylic acid 482.19
    isopropyl myristate 97.58
    n-butyric acid 674.01
    acetyl acetate 156.17
    di(2-ethylhexyl) phthalate 116.12
    ethyl propionate 108.81
    nitromethane 757.16
    1,2-diethoxyethane 202.88
    benzonitrile 164.02
    trioctyl phosphate 96.64
    1-bromopropane 119.79
    gamma-valerolactone 722.5
    n-decanol 144.86
    triethyl phosphate 82.6
    4-methyl-2-pentanol 156.17
    propionitrile 230.39
    vinylene carbonate 316.99
    1,1,2-trichlorotrifluoroethane 496.51
    DMS 139.22
    cumene 38.51
    2-octanol 137.56
    2-hexanone 153.36
    octyl acetate 138.7
    limonene 104.8
    1,2-dimethoxyethane 522.46
    ethyl orthosilicate 84.38
    tributyl phosphate 106.8
    diacetone alcohol 273.74
    N,N-dimethylaniline 85.23
    acrylonitrile 236.31
    aniline 141.87
    1,3-propanediol 874.67
    bromobenzene 67.58
    dibromomethane 223.32
    1,1,2,2-tetrachloroethane 299.91
    2-methyl-cyclohexyl acetate 145.68
    tetrabutyl urea 137.57
    diisobutyl methanol 108.12
    2-phenylethanol 184.8
    styrene 42.61
    dioctyl adipate 149.59
    dimethyl sulfate 122.55
    ethyl butyrate 127.02
    methyl lactate 189.79
    butyl lactate 166.97
    diethyl carbonate 96.75
    propanediol butyl ether 421.87
    triethyl orthoformate 115.63
    p-tert-butyltoluene 59.32
    methyl 4-tert-butylbenzoate 170.87
    morpholine 960.27
    tert-butylamine 438.08
    n-dodecanol 107.72
    dimethoxymethane 324.77
    ethylene carbonate 276.26
    cyrene 232.51
    2-ethoxyethyl acetate 158.48
    2-ethylhexyl acetate 123.87
    1,2,4-trichlorobenzene 128.18
    4-methylpyridine 201.59
    dibutyl ether 146.81
    2,6-dimethyl-4-heptanol 108.12
    DEF 230.41
    dimethyl isosorbide 391.11
    tetrachloroethylene 212.86
    eugenol 177.71
    triacetin 218.76
    span 80 340.78
    1,4-butanediol 299.13
    1,1-dichloroethane 189.45
    2-methyl-1-pentanol 228.65
    methyl formate 313.96
    2-methyl-1-butanol 360.0
    n-decane 26.65
    butyronitrile 291.9
    3,7-dimethyl-1-octanol 182.24
    1-chlorooctane 87.66
    1-chlorotetradecane 38.44
    n-nonane 27.07
    undecane 19.35
    tert-butylcyclohexane 31.44
    cyclooctane 28.39
    cyclopentanol 639.47
    tetrahydropyran 678.73
    tert-amyl methyl ether 168.45
    2,5,8-trioxanonane 433.29
    1-hexene 127.04
    2-isopropoxyethanol 245.6
    2,2,2-trifluoroethanol 363.12
    methyl butyrate 159.37

    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