6-Hydroxy-4,6-dimethyl-3-hepten-2-one

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  • Identifiers

    CAS number
    83348-17-8

    Molecular formula
    C9H16O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 57.4%
    Fruity 53.89%
    Floral 53.63%
    Herbal 51.85%
    Fresh 51.48%
    Mint 51.38%
    Green 45.33%
    Sweet 45.09%
    Citrus 41.24%
    Camphoreous 39.25%

     

    Flavor
    Green 47.06%
    Sweet 46.33%
    Woody 40.08%
    Earthy 36.53%
    Herbal 32.94%
    Floral 32.83%
    Lavender 32.35%
    Citrus 30.77%
    Tropical 28.99%
    Pungent 27.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    9.58 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    237°C

    Flash point

    • 94.38 ˚C est.

  • Synonyms

    • 6-Hydroxy-4,6-dimethyl-3-hepten-2-one
    • (3Z)-6-hydroxy-4,6-dimethylhept-3-en-2-one
    • 83348-17-8
    • RefChem:104724
    • CHEBI:171763
    • (Z)-6-hydroxy-4,6-dimethylhept-3-en-2-one
    • 83348-17-8

  • Applications

    6-Hydroxy-4,6-dimethyl-3-hepten-2-one (CAS 83348-17-8) is primarily used as a chemical intermediate and fragrance ingredient in the fragrance and cosmetic industries. In perfumery, it typically functions as an aroma component and may serve as a synthetic intermediate to create or adjust the scent and lasting power of formulations. Additionally, with its hydroxyl and ketone functional groups, it can act as an intermediate for other aroma compounds or be incorporated into personal care products (creams, oils, perfumes) to add or fine-tune aroma profiles. It may also be used as a fragrance additive in industrial formulations such as coatings, binders, and cleaning products, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2406.52
    methanol 3904.06
    isopropanol 1410.13
    water 204.57
    ethyl acetate 823.87
    n-propanol 1472.48
    acetone 1082.36
    n-butanol 1268.98
    acetonitrile 920.83
    DMF 1646.69
    toluene 234.33
    isobutanol 887.56
    1,4-dioxane 2080.43
    methyl acetate 801.5
    THF 2666.93
    2-butanone 667.62
    n-pentanol 733.31
    sec-butanol 983.44
    n-hexane 232.66
    ethylene glycol 859.05
    NMP 1622.21
    cyclohexane 274.48
    DMSO 744.3
    n-butyl acetate 532.02
    n-octanol 665.7
    chloroform 987.31
    n-propyl acetate 478.55
    acetic acid 2195.27
    dichloromethane 802.95
    cyclohexanone 1026.46
    propylene glycol 1055.0
    isopropyl acetate 494.19
    DMAc 1303.61
    2-ethoxyethanol 1003.89
    isopentanol 811.09
    n-heptane 215.33
    ethyl formate 829.02
    1,2-dichloroethane 457.33
    n-hexanol 1257.69
    2-methoxyethanol 2160.96
    isobutyl acetate 309.25
    tetrachloromethane 208.22
    n-pentyl acetate 382.07
    transcutol 2252.56
    n-heptanol 509.77
    ethylbenzene 168.63
    MIBK 378.8
    2-propoxyethanol 1572.18
    tert-butanol 1292.44
    MTBE 739.61
    2-butoxyethanol 693.31
    propionic acid 1144.63
    o-xylene 214.17
    formic acid 1410.17
    diethyl ether 945.16
    m-xylene 219.19
    p-xylene 212.13
    chlorobenzene 267.53
    dimethyl carbonate 395.53
    n-octane 72.49
    formamide 908.56
    cyclopentanone 1100.6
    2-pentanone 611.21
    anisole 377.74
    cyclopentyl methyl ether 1167.18
    gamma-butyrolactone 1525.63
    1-methoxy-2-propanol 1372.19
    pyridine 612.79
    3-pentanone 460.93
    furfural 1032.45
    n-dodecane 58.54
    diethylene glycol 1215.26
    diisopropyl ether 269.03
    tert-amyl alcohol 923.76
    acetylacetone 654.96
    n-hexadecane 61.33
    acetophenone 319.78
    methyl propionate 710.23
    isopentyl acetate 425.0
    trichloroethylene 671.36
    n-nonanol 525.27
    cyclohexanol 1058.16
    benzyl alcohol 370.85
    2-ethylhexanol 541.03
    isooctanol 333.6
    dipropyl ether 579.46
    1,2-dichlorobenzene 226.58
    ethyl lactate 325.36
    propylene carbonate 885.52
    n-methylformamide 1214.17
    2-pentanol 733.74
    n-pentane 246.63
    1-propoxy-2-propanol 930.4
    1-methoxy-2-propyl acetate 625.86
    2-(2-methoxypropoxy) propanol 576.97
    mesitylene 148.1
    ε-caprolactone 1105.63
    p-cymene 160.08
    epichlorohydrin 1114.39
    1,1,1-trichloroethane 451.26
    2-aminoethanol 1301.48
    morpholine-4-carbaldehyde 1716.69
    sulfolane 988.64
    2,2,4-trimethylpentane 91.37
    2-methyltetrahydrofuran 1549.97
    n-hexyl acetate 747.06
    isooctane 66.34
    2-(2-butoxyethoxy)ethanol 902.38
    sec-butyl acetate 303.44
    tert-butyl acetate 507.98
    decalin 107.72
    glycerin 1139.29
    diglyme 1211.31
    acrylic acid 922.74
    isopropyl myristate 257.71
    n-butyric acid 1234.42
    acetyl acetate 568.07
    di(2-ethylhexyl) phthalate 244.48
    ethyl propionate 469.01
    nitromethane 1805.91
    1,2-diethoxyethane 644.47
    benzonitrile 371.95
    trioctyl phosphate 208.72
    1-bromopropane 375.25
    gamma-valerolactone 1759.04
    n-decanol 365.04
    triethyl phosphate 204.4
    4-methyl-2-pentanol 366.6
    propionitrile 645.39
    vinylene carbonate 799.26
    1,1,2-trichlorotrifluoroethane 910.85
    DMS 453.19
    cumene 141.69
    2-octanol 356.14
    2-hexanone 428.03
    octyl acetate 366.5
    limonene 267.57
    1,2-dimethoxyethane 1481.27
    ethyl orthosilicate 205.99
    tributyl phosphate 234.98
    diacetone alcohol 628.05
    N,N-dimethylaniline 268.56
    acrylonitrile 654.87
    aniline 403.32
    1,3-propanediol 1352.26
    bromobenzene 197.03
    dibromomethane 542.1
    1,1,2,2-tetrachloroethane 575.76
    2-methyl-cyclohexyl acetate 339.17
    tetrabutyl urea 309.99
    diisobutyl methanol 235.75
    2-phenylethanol 440.16
    styrene 171.86
    dioctyl adipate 347.85
    dimethyl sulfate 432.99
    ethyl butyrate 401.26
    methyl lactate 514.14
    butyl lactate 361.39
    diethyl carbonate 282.56
    propanediol butyl ether 806.31
    triethyl orthoformate 314.01
    p-tert-butyltoluene 161.72
    methyl 4-tert-butylbenzoate 398.37
    morpholine 2238.14
    tert-butylamine 883.64
    n-dodecanol 268.28
    dimethoxymethane 1281.47
    ethylene carbonate 740.97
    cyrene 483.3
    2-ethoxyethyl acetate 478.74
    2-ethylhexyl acetate 348.54
    1,2,4-trichlorobenzene 276.78
    4-methylpyridine 663.59
    dibutyl ether 506.55
    2,6-dimethyl-4-heptanol 235.75
    DEF 817.08
    dimethyl isosorbide 895.45
    tetrachloroethylene 421.18
    eugenol 411.55
    triacetin 566.4
    span 80 627.81
    1,4-butanediol 556.57
    1,1-dichloroethane 496.34
    2-methyl-1-pentanol 496.15
    methyl formate 1080.56
    2-methyl-1-butanol 787.3
    n-decane 107.05
    butyronitrile 741.65
    3,7-dimethyl-1-octanol 438.67
    1-chlorooctane 277.78
    1-chlorotetradecane 113.14
    n-nonane 115.37
    undecane 75.72
    tert-butylcyclohexane 107.21
    cyclooctane 109.68
    cyclopentanol 1110.57
    tetrahydropyran 1659.6
    tert-amyl methyl ether 585.16
    2,5,8-trioxanonane 859.13
    1-hexene 412.65
    2-isopropoxyethanol 593.62
    2,2,2-trifluoroethanol 716.51
    methyl butyrate 582.67

    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