5-Decanone, 6-hydroxy-

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  • Identifiers

    CAS number
    6540-98-3

    Molecular formula
    C10H20O2

    SMILES
    CCCCC(C(=O)CCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 51.94%
    Herbal 42.13%
    Fruity 42.0%
    Oily 40.72%
    Earthy 36.78%
    Buttery 34.64%
    Green 32.64%
    Mint 29.47%
    Nutty 27.16%
    Musty 26.65%

     

    Flavor
    Sweet 35.51%
    Herbal 35.1%
    Oily 26.06%
    Pungent 23.73%
    Cheese 23.61%
    Mushroom 21.64%
    Broccoli 21.04%
    Fatty 20.35%
    Odorless 20.05%
    Musty 19.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.63 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    231°C

    Flash point

    • 104.02 ˚C est.

  • Synonyms

    • 6-Hydroxy-5-decanone
    • 6540-98-3
    • 5-Decanone, 6-hydroxy-
    • EINECS 229-455-5
    • DTXSID10884318
    • RefChem:102438
    • DTXCID601023768
    • ORLDHCIQVZTBQQ-UHFFFAOYSA-N
    • 6-hydroxydecan-5-one
    • N-VALEROIN
    • Valeroin
    • MFCD00059663
    • 4-Hydroxydecan-5-one
    • 27620-76-4
    • 5-hydroxy-6-decanone
    • 6-hydroxy-decan-5-one
    • 6-Hydroxy-5-decanone #
    • Valeroin;4-hydroxydecan-5-one
    • SCHEMBL1295647
    • SCHEMBL8804789
    • CS-0454678
    • V0055
    • D92783
    • 6540-98-3

  • Applications

    5-Decanone, 6-hydroxy- (CAS 6540-98-3) is a hydroxy-substituted aliphatic ketone that primarily serves as a synthetic intermediate in fragrance chemistry and related industries. In perfumery and cosmetics, it can function as a fragrance material or odorant precursor used to build complex scent profiles. It may also be used as a building block in industrial manufacturing to access derivatives for specialty polymers and coatings. In pharmaceutical and fine-chemical workflows, it may act as a synthetic intermediate for the preparation of more complex molecules. Overall, its applications are typically as a chemical intermediate with formulation and regulatory considerations depending on the specific use.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2982.16
    methanol 3690.73
    isopropanol 2603.77
    water 1.28
    ethyl acetate 1177.05
    n-propanol 2053.32
    acetone 2050.31
    n-butanol 1806.46
    acetonitrile 1234.42
    DMF 1860.85
    toluene 297.41
    isobutanol 1550.06
    1,4-dioxane 1785.31
    methyl acetate 959.77
    THF 1927.94
    2-butanone 1244.39
    n-pentanol 1122.66
    sec-butanol 1695.43
    n-hexane 169.64
    ethylene glycol 401.68
    NMP 1118.69
    cyclohexane 350.32
    DMSO 1992.34
    n-butyl acetate 1472.53
    n-octanol 543.27
    chloroform 2307.13
    n-propyl acetate 892.5
    acetic acid 1764.04
    dichloromethane 1877.31
    cyclohexanone 1915.31
    propylene glycol 617.87
    isopropyl acetate 788.95
    DMAc 982.58
    2-ethoxyethanol 1042.99
    isopentanol 1465.96
    n-heptane 115.83
    ethyl formate 1073.92
    1,2-dichloroethane 1360.13
    n-hexanol 1445.9
    2-methoxyethanol 1904.92
    isobutyl acetate 556.58
    tetrachloromethane 364.74
    n-pentyl acetate 752.18
    transcutol 2826.99
    n-heptanol 610.95
    ethylbenzene 251.39
    MIBK 588.44
    2-propoxyethanol 1462.29
    tert-butanol 2571.79
    MTBE 1351.46
    2-butoxyethanol 899.3
    propionic acid 1180.64
    o-xylene 239.44
    formic acid 551.45
    diethyl ether 1099.44
    m-xylene 225.83
    p-xylene 352.94
    chlorobenzene 686.51
    dimethyl carbonate 208.91
    n-octane 61.61
    formamide 654.0
    cyclopentanone 1655.33
    2-pentanone 1006.2
    anisole 482.95
    cyclopentyl methyl ether 770.45
    gamma-butyrolactone 1683.03
    1-methoxy-2-propanol 1305.76
    pyridine 1392.96
    3-pentanone 557.98
    furfural 1479.13
    n-dodecane 45.04
    diethylene glycol 957.26
    diisopropyl ether 317.86
    tert-amyl alcohol 1612.71
    acetylacetone 951.48
    n-hexadecane 50.35
    acetophenone 530.83
    methyl propionate 648.77
    isopentyl acetate 1218.41
    trichloroethylene 2317.76
    n-nonanol 437.34
    cyclohexanol 1290.22
    benzyl alcohol 528.85
    2-ethylhexanol 775.03
    isooctanol 481.08
    dipropyl ether 620.75
    1,2-dichlorobenzene 611.8
    ethyl lactate 332.4
    propylene carbonate 1050.98
    n-methylformamide 1136.24
    2-pentanol 1136.0
    n-pentane 137.0
    1-propoxy-2-propanol 1169.66
    1-methoxy-2-propyl acetate 764.06
    2-(2-methoxypropoxy) propanol 583.72
    mesitylene 176.91
    ε-caprolactone 1567.42
    p-cymene 226.14
    epichlorohydrin 1648.38
    1,1,1-trichloroethane 1181.51
    2-aminoethanol 886.21
    morpholine-4-carbaldehyde 1194.99
    sulfolane 1674.53
    2,2,4-trimethylpentane 78.75
    2-methyltetrahydrofuran 1347.11
    n-hexyl acetate 869.64
    isooctane 66.38
    2-(2-butoxyethoxy)ethanol 886.42
    sec-butyl acetate 549.87
    tert-butyl acetate 702.48
    decalin 123.86
    glycerin 676.03
    diglyme 1549.72
    acrylic acid 863.79
    isopropyl myristate 298.24
    n-butyric acid 2213.63
    acetyl acetate 618.18
    di(2-ethylhexyl) phthalate 271.44
    ethyl propionate 550.98
    nitromethane 1951.36
    1,2-diethoxyethane 980.76
    benzonitrile 884.13
    trioctyl phosphate 232.5
    1-bromopropane 875.7
    gamma-valerolactone 1942.6
    n-decanol 295.96
    triethyl phosphate 259.91
    4-methyl-2-pentanol 569.96
    propionitrile 1096.34
    vinylene carbonate 935.14
    1,1,2-trichlorotrifluoroethane 1261.06
    DMS 444.53
    cumene 202.17
    2-octanol 414.78
    2-hexanone 856.94
    octyl acetate 372.88
    limonene 371.21
    1,2-dimethoxyethane 1707.88
    ethyl orthosilicate 273.06
    tributyl phosphate 282.07
    diacetone alcohol 782.56
    N,N-dimethylaniline 329.54
    acrylonitrile 1182.2
    aniline 563.2
    1,3-propanediol 1422.24
    bromobenzene 657.57
    dibromomethane 1380.34
    1,1,2,2-tetrachloroethane 1954.25
    2-methyl-cyclohexyl acetate 507.18
    tetrabutyl urea 342.26
    diisobutyl methanol 400.68
    2-phenylethanol 617.52
    styrene 337.58
    dioctyl adipate 410.59
    dimethyl sulfate 322.81
    ethyl butyrate 752.3
    methyl lactate 375.0
    butyl lactate 571.32
    diethyl carbonate 465.26
    propanediol butyl ether 814.31
    triethyl orthoformate 479.68
    p-tert-butyltoluene 214.66
    methyl 4-tert-butylbenzoate 471.16
    morpholine 2135.58
    tert-butylamine 1529.25
    n-dodecanol 221.11
    dimethoxymethane 760.06
    ethylene carbonate 865.81
    cyrene 437.13
    2-ethoxyethyl acetate 738.26
    2-ethylhexyl acetate 817.13
    1,2,4-trichlorobenzene 635.49
    4-methylpyridine 1226.2
    dibutyl ether 595.02
    2,6-dimethyl-4-heptanol 400.68
    DEF 1014.48
    dimethyl isosorbide 789.94
    tetrachloroethylene 1387.57
    eugenol 495.05
    triacetin 558.55
    span 80 616.39
    1,4-butanediol 545.5
    1,1-dichloroethane 1495.07
    2-methyl-1-pentanol 883.62
    methyl formate 758.47
    2-methyl-1-butanol 1238.4
    n-decane 81.84
    butyronitrile 1474.23
    3,7-dimethyl-1-octanol 498.0
    1-chlorooctane 309.71
    1-chlorotetradecane 117.69
    n-nonane 82.96
    undecane 57.66
    tert-butylcyclohexane 115.04
    cyclooctane 75.61
    cyclopentanol 1188.65
    tetrahydropyran 1896.25
    tert-amyl methyl ether 712.84
    2,5,8-trioxanonane 947.57
    1-hexene 573.78
    2-isopropoxyethanol 739.99
    2,2,2-trifluoroethanol 405.89
    methyl butyrate 1052.31

    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