4-Hydroxyhexan-3-one

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  • Identifiers

    CAS number
    4984-85-4

    Molecular formula
    C6H12O2

    SMILES
    CCC(C(=O)CC)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Buttery 67.75%
    Caramellic 57.78%
    Nutty 47.9%
    Sweet 46.18%
    Creamy 41.92%
    Milky 34.02%
    Earthy 30.41%
    Dairy 29.83%
    Fatty 29.13%
    Oily 27.61%

     

    Flavor
    Sweet 63.42%
    Buttery 45.4%
    Creamy 39.58%
    Caramel 38.66%
    Butter 36.78%
    Pungent 35.76%
    Milky 34.36%
    Musty 32.33%
    Odorless 29.38%
    Oily 26.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.55 (weak base)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point

    • 64.25 ˚C est.

  • Synonyms

    • 4-Hydroxyhexan-3-one
    • Propioin
    • 4-Hydroxy-3-hexanone
    • 4984-85-4
    • Propionoin
    • 3-Hexanone, 4-hydroxy-
    • 3-Hydroxyhexan-4-one
    • RB7X233LSR
    • 3-Hydroxy-4-hexanone
    • EINECS 225-637-3
    • NSC-23087
    • AI3-13026
    • CHEBI:18351
    • SKCYVGUCBRYGTE-UHFFFAOYSA-
    • DTXSID40863474
    • Ethyl .alpha.-hydroxypropyl ketone
    • NSC 23087
    • (+/-)-4-HYDROXY-3-HEXANONE
    • MFCD00043572
    • -Hexanone, 4-hydroxy-
    • UNII-RB7X233LSR
    • SCHEMBL108041
    • DTXCID10812090
    • 4-Hydroxy-3-hexanone, AldrichCPR
    • NSC23087
    • LMFA12000029
    • AKOS006228413
    • SB83904
    • 11046-98-3
    • AS-81700
    • NS00045061
    • P0974
    • C02948
    • D92050
    • Q27103019
    • 225-637-3
    • 52217-03-5

  • Applications

    4-Hydroxyhexan-3-one (CAS 4984-85-4) is primarily used as an intermediate in organic synthesis and as a building block for fragrance, flavor, and cosmetic applications. It is also employed as a synthetic input for materials in plastics and polymers, and as a reactive intermediate in coatings, inks, and related industrial processes. In pharmaceutical research, it may serve as a versatile substrate for multi-step synthetic routes. In household products and cleaning formulations, it can be used as a processing aid or formulation-building block, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1241.71
    methanol 2458.41
    isopropanol 835.5
    water 77.89
    ethyl acetate 393.3
    n-propanol 862.63
    acetone 812.85
    n-butanol 702.56
    acetonitrile 890.79
    DMF 902.29
    toluene 96.91
    isobutanol 616.66
    1,4-dioxane 1013.02
    methyl acetate 504.18
    THF 899.04
    2-butanone 537.65
    n-pentanol 553.99
    sec-butanol 632.0
    n-hexane 83.51
    ethylene glycol 526.15
    NMP 914.38
    cyclohexane 71.27
    DMSO 1426.83
    n-butyl acetate 420.21
    n-octanol 348.89
    chloroform 1053.61
    n-propyl acetate 391.48
    acetic acid 1450.37
    dichloromethane 1067.42
    cyclohexanone 697.06
    propylene glycol 449.82
    isopropyl acetate 258.34
    DMAc 586.64
    2-ethoxyethanol 871.53
    isopentanol 565.2
    n-heptane 47.26
    ethyl formate 479.05
    1,2-dichloroethane 610.17
    n-hexanol 478.45
    2-methoxyethanol 1110.46
    isobutyl acetate 244.91
    tetrachloromethane 254.09
    n-pentyl acetate 343.93
    transcutol 1655.47
    n-heptanol 311.86
    ethylbenzene 118.43
    MIBK 287.37
    2-propoxyethanol 692.11
    tert-butanol 919.05
    MTBE 511.13
    2-butoxyethanol 513.05
    propionic acid 803.28
    o-xylene 117.61
    formic acid 977.65
    diethyl ether 417.59
    m-xylene 96.91
    p-xylene 173.03
    chlorobenzene 298.25
    dimethyl carbonate 129.21
    n-octane 32.21
    formamide 884.66
    cyclopentanone 850.0
    2-pentanone 398.84
    anisole 287.0
    cyclopentyl methyl ether 408.49
    gamma-butyrolactone 1072.2
    1-methoxy-2-propanol 642.21
    pyridine 471.14
    3-pentanone 287.52
    furfural 913.96
    n-dodecane 29.42
    diethylene glycol 660.43
    diisopropyl ether 147.89
    tert-amyl alcohol 714.43
    acetylacetone 431.61
    n-hexadecane 31.79
    acetophenone 308.85
    methyl propionate 304.61
    isopentyl acetate 368.86
    trichloroethylene 1061.71
    n-nonanol 265.15
    cyclohexanol 474.07
    benzyl alcohol 329.25
    2-ethylhexanol 297.52
    isooctanol 270.09
    dipropyl ether 214.84
    1,2-dichlorobenzene 336.3
    ethyl lactate 219.55
    propylene carbonate 555.9
    n-methylformamide 771.68
    2-pentanol 439.38
    n-pentane 65.14
    1-propoxy-2-propanol 472.69
    1-methoxy-2-propyl acetate 295.56
    2-(2-methoxypropoxy) propanol 359.19
    mesitylene 83.61
    ε-caprolactone 671.05
    p-cymene 109.26
    epichlorohydrin 929.48
    1,1,1-trichloroethane 510.75
    2-aminoethanol 788.03
    morpholine-4-carbaldehyde 875.5
    sulfolane 1276.42
    2,2,4-trimethylpentane 59.52
    2-methyltetrahydrofuran 694.39
    n-hexyl acetate 485.37
    isooctane 43.2
    2-(2-butoxyethoxy)ethanol 534.71
    sec-butyl acetate 230.84
    tert-butyl acetate 323.74
    decalin 55.5
    glycerin 603.1
    diglyme 952.21
    acrylic acid 734.79
    isopropyl myristate 162.57
    n-butyric acid 780.94
    acetyl acetate 269.85
    di(2-ethylhexyl) phthalate 164.0
    ethyl propionate 271.41
    nitromethane 1601.38
    1,2-diethoxyethane 479.56
    benzonitrile 464.21
    trioctyl phosphate 144.24
    1-bromopropane 336.5
    gamma-valerolactone 1023.3
    n-decanol 186.1
    triethyl phosphate 144.1
    4-methyl-2-pentanol 274.14
    propionitrile 543.77
    vinylene carbonate 529.73
    1,1,2-trichlorotrifluoroethane 739.22
    DMS 269.76
    cumene 116.95
    2-octanol 248.0
    2-hexanone 407.3
    octyl acetate 216.07
    limonene 159.18
    1,2-dimethoxyethane 988.11
    ethyl orthosilicate 144.69
    tributyl phosphate 181.71
    diacetone alcohol 409.15
    N,N-dimethylaniline 218.92
    acrylonitrile 730.72
    aniline 248.81
    1,3-propanediol 859.62
    bromobenzene 253.93
    dibromomethane 666.58
    1,1,2,2-tetrachloroethane 855.56
    2-methyl-cyclohexyl acetate 250.98
    tetrabutyl urea 208.46
    diisobutyl methanol 174.41
    2-phenylethanol 286.62
    styrene 147.24
    dioctyl adipate 228.03
    dimethyl sulfate 263.52
    ethyl butyrate 279.77
    methyl lactate 247.12
    butyl lactate 299.33
    diethyl carbonate 184.76
    propanediol butyl ether 504.09
    triethyl orthoformate 200.86
    p-tert-butyltoluene 103.73
    methyl 4-tert-butylbenzoate 298.52
    morpholine 900.87
    tert-butylamine 593.73
    n-dodecanol 139.76
    dimethoxymethane 426.43
    ethylene carbonate 434.08
    cyrene 334.16
    2-ethoxyethyl acetate 393.13
    2-ethylhexyl acetate 273.35
    1,2,4-trichlorobenzene 375.47
    4-methylpyridine 445.32
    dibutyl ether 279.54
    2,6-dimethyl-4-heptanol 174.41
    DEF 462.84
    dimethyl isosorbide 528.35
    tetrachloroethylene 747.86
    eugenol 338.69
    triacetin 371.42
    span 80 332.68
    1,4-butanediol 524.79
    1,1-dichloroethane 557.41
    2-methyl-1-pentanol 509.69
    methyl formate 602.0
    2-methyl-1-butanol 558.08
    n-decane 47.96
    butyronitrile 563.89
    3,7-dimethyl-1-octanol 282.85
    1-chlorooctane 183.68
    1-chlorotetradecane 70.99
    n-nonane 49.09
    undecane 35.94
    tert-butylcyclohexane 69.8
    cyclooctane 26.96
    cyclopentanol 602.72
    tetrahydropyran 629.22
    tert-amyl methyl ether 354.02
    2,5,8-trioxanonane 577.46
    1-hexene 232.71
    2-isopropoxyethanol 567.84
    2,2,2-trifluoroethanol 502.01
    methyl butyrate 435.91

    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