2-Hydroxy-5-methyl-hexan-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    246511-74-0

    Molecular formula
    C7H14O2

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

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Sweet 61.81%
    Buttery 47.7%
    Creamy 38.55%
    Fruity 37.11%
    Nutty 34.98%
    Caramellic 34.02%
    Chocolate 28.52%
    Oily 28.09%
    Milky 26.83%
    Ethereal 26.1%

     

    Flavor
    Fruity 71.92%
    Sweet 51.13%
    Creamy 35.59%
    Cheese 34.06%
    Butter 34.02%
    Buttery 33.55%
    Berry 32.4%
    Sour 29.84%
    Tropical 25.65%
    Caramel 25.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    9.18 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    182°C

    Flash point

    • 71.86 ˚C est.

  • Synonyms

    • 2-hydroxy-5-methyl-3-hexanone
    • 2-hydroxy-5-methyl-hexan-3-one
    • FEMA No. 3989, 2-hydroxy-
    • 246511-74-0
    • F06LL2B56F
    • 2-hydroxy-5-methylhexan-3-one
    • UNII-F06LL2B56F
    • DTXSID70947594
    • 3-HEXANONE, 2-HYDROXY-5-METHYL-
    • (+/-)-2-HYDROXY-5-METHYLHEXAN-3-ONE
    • 2-HYDROXY-5-METHYLHEXAN-3-ONE, (+/-)-
    • SCHEMBL108766
    • OYUBDGVWESFPBQ-UHFFFAOYSA-N
    • DTXCID501375851
    • Q27277464

  • Applications

    2-Hydroxy-5-methyl-hexan-3-one (CAS 246511-74-0) is primarily used as a chemical intermediate in aroma and flavor chemistry, functioning as a building block for fragrance and flavor compounds and as a precursor in cosmetic formulations; it is also commonly evaluated for pharmaceutical synthesis as a chiral building block and can serve as a reactive intermediate in polymer and plastics chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 198.67
    methanol 353.27
    isopropanol 224.86
    water 13.37
    ethyl acetate 58.5
    n-propanol 200.85
    acetone 115.7
    n-butanol 168.16
    acetonitrile 69.5
    DMF 162.21
    toluene 20.31
    isobutanol 165.2
    1,4-dioxane 188.06
    methyl acetate 80.91
    THF 240.43
    2-butanone 98.68
    n-pentanol 116.11
    sec-butanol 213.77
    n-hexane 22.63
    ethylene glycol 153.67
    NMP 226.22
    cyclohexane 16.34
    DMSO 180.67
    n-butyl acetate 95.06
    n-octanol 114.0
    chloroform 211.78
    n-propyl acetate 51.97
    acetic acid 227.72
    dichloromethane 124.5
    cyclohexanone 169.39
    propylene glycol 211.1
    isopropyl acetate 51.76
    DMAc 162.92
    2-ethoxyethanol 151.07
    isopentanol 143.22
    n-heptane 17.91
    ethyl formate 64.83
    1,2-dichloroethane 75.82
    n-hexanol 216.25
    2-methoxyethanol 236.89
    isobutyl acetate 48.56
    tetrachloromethane 44.59
    n-pentyl acetate 74.22
    transcutol 335.93
    n-heptanol 115.44
    ethylbenzene 29.56
    MIBK 69.26
    2-propoxyethanol 240.93
    tert-butanol 290.41
    MTBE 130.5
    2-butoxyethanol 157.9
    propionic acid 167.38
    o-xylene 35.59
    formic acid 112.63
    diethyl ether 57.87
    m-xylene 32.95
    p-xylene 41.47
    chlorobenzene 49.47
    dimethyl carbonate 24.53
    n-octane 10.0
    formamide 61.67
    cyclopentanone 205.88
    2-pentanone 73.26
    anisole 65.94
    cyclopentyl methyl ether 101.16
    gamma-butyrolactone 219.72
    1-methoxy-2-propanol 193.26
    pyridine 77.23
    3-pentanone 52.14
    furfural 200.84
    n-dodecane 9.62
    diethylene glycol 227.9
    diisopropyl ether 31.15
    tert-amyl alcohol 246.72
    acetylacetone 89.89
    n-hexadecane 10.2
    acetophenone 75.72
    methyl propionate 55.87
    isopentyl acetate 108.26
    trichloroethylene 181.16
    n-nonanol 96.82
    cyclohexanol 151.18
    benzyl alcohol 78.05
    2-ethylhexanol 118.14
    isooctanol 96.42
    dipropyl ether 59.88
    1,2-dichlorobenzene 67.86
    ethyl lactate 66.8
    propylene carbonate 136.96
    n-methylformamide 89.63
    2-pentanol 124.89
    n-pentane 15.3
    1-propoxy-2-propanol 178.69
    1-methoxy-2-propyl acetate 98.4
    2-(2-methoxypropoxy) propanol 148.65
    mesitylene 28.88
    ε-caprolactone 150.1
    p-cymene 40.83
    epichlorohydrin 165.61
    1,1,1-trichloroethane 99.6
    2-aminoethanol 214.22
    morpholine-4-carbaldehyde 206.36
    sulfolane 314.38
    2,2,4-trimethylpentane 18.03
    2-methyltetrahydrofuran 174.1
    n-hexyl acetate 126.56
    isooctane 14.23
    2-(2-butoxyethoxy)ethanol 181.34
    sec-butyl acetate 44.75
    tert-butyl acetate 81.54
    decalin 18.07
    glycerin 261.97
    diglyme 250.74
    acrylic acid 150.22
    isopropyl myristate 55.46
    n-butyric acid 169.33
    acetyl acetate 49.52
    di(2-ethylhexyl) phthalate 70.14
    ethyl propionate 46.28
    nitromethane 151.85
    1,2-diethoxyethane 77.44
    benzonitrile 82.25
    trioctyl phosphate 58.48
    1-bromopropane 52.98
    gamma-valerolactone 233.86
    n-decanol 75.42
    triethyl phosphate 47.58
    4-methyl-2-pentanol 88.22
    propionitrile 77.24
    vinylene carbonate 112.91
    1,1,2-trichlorotrifluoroethane 210.38
    DMS 71.52
    cumene 35.76
    2-octanol 82.94
    2-hexanone 73.05
    octyl acetate 73.08
    limonene 60.78
    1,2-dimethoxyethane 168.22
    ethyl orthosilicate 47.89
    tributyl phosphate 58.25
    diacetone alcohol 147.1
    N,N-dimethylaniline 60.82
    acrylonitrile 89.12
    aniline 53.67
    1,3-propanediol 204.7
    bromobenzene 42.91
    dibromomethane 87.36
    1,1,2,2-tetrachloroethane 189.58
    2-methyl-cyclohexyl acetate 89.62
    tetrabutyl urea 73.02
    diisobutyl methanol 71.06
    2-phenylethanol 106.9
    styrene 28.31
    dioctyl adipate 77.86
    dimethyl sulfate 63.24
    ethyl butyrate 62.05
    methyl lactate 83.94
    butyl lactate 90.32
    diethyl carbonate 45.94
    propanediol butyl ether 196.13
    triethyl orthoformate 54.62
    p-tert-butyltoluene 42.59
    methyl 4-tert-butylbenzoate 116.63
    morpholine 181.59
    tert-butylamine 178.05
    n-dodecanol 60.27
    dimethoxymethane 74.03
    ethylene carbonate 85.26
    cyrene 135.47
    2-ethoxyethyl acetate 80.79
    2-ethylhexyl acetate 78.85
    1,2,4-trichlorobenzene 91.2
    4-methylpyridine 84.46
    dibutyl ether 58.58
    2,6-dimethyl-4-heptanol 71.06
    DEF 84.36
    dimethyl isosorbide 199.86
    tetrachloroethylene 130.21
    eugenol 123.04
    triacetin 105.31
    span 80 154.54
    1,4-butanediol 116.67
    1,1-dichloroethane 96.87
    2-methyl-1-pentanol 114.23
    methyl formate 77.11
    2-methyl-1-butanol 147.33
    n-decane 14.75
    butyronitrile 85.78
    3,7-dimethyl-1-octanol 111.27
    1-chlorooctane 53.86
    1-chlorotetradecane 23.91
    n-nonane 14.87
    undecane 11.43
    tert-butylcyclohexane 24.48
    cyclooctane 8.05
    cyclopentanol 180.99
    tetrahydropyran 129.88
    tert-amyl methyl ether 97.74
    2,5,8-trioxanonane 195.05
    1-hexene 51.93
    2-isopropoxyethanol 125.54
    2,2,2-trifluoroethanol 87.19
    methyl butyrate 68.3

    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