(+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    23007-34-3

    Molecular formula
    C10H18O2

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

  • Odor profile

    Fruity 46.47%
    Woody 45.6%
    Herbal 40.44%
    Sweet 40.42%
    Mint 34.51%
    Fresh 33.78%
    Floral 33.11%
    Citrus 28.65%
    Cooling 27.33%
    Dry 26.84%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    222°C

    Flash point est.
    93.34 ˚C

  • Synonyms

    • Tagetonol
    • (+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one
    • 6-hydroxy-2,6-dimethyloct-7-en-4-one
    • 71547-63-2
    • SCHEMBL5803753
    • DTXSID50334948
    • CHEBI:180213
    • HPKAJXIDKBSLHJ-UHFFFAOYSA-N
    • DTXSID701274605
    • 23007-34-3

  • Applications

    (+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one (CAS 23007-34-3) is used primarily in fragrance and flavor applications for its fresh, citrus-like/green facets with herbal nuances, serving as a top-note modifier that imparts naturalness in fine fragrances, personal care, and household products; in organic synthesis the (+) enantiomer functions as a stereodefined building block and intermediate toward terpenoid/isoprenoid-type scaffolds and as a model substrate for enone–allylic alcohol chemistry (stereoselective reductions/oxidations, Michael additions, epoxidations, protection strategies), and it is employed as an analytical reference for GC–MS/GC–FID calibration, enantiomeric method development, and stability/impurity profiling; it also finds use in sensory and chemical-ecology research (structure–odor relationships, odorant receptor studies, semiochemical modeling) and in formulation science (volatility tuning, microencapsulation, solvent compatibility), with practical deployment subject to applicable safety practices and fragrance/food regulatory guidelines.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 780.76
    methanol 1212.97
    isopropanol 605.19
    water 10.43
    ethyl acetate 213.17
    n-propanol 534.16
    acetone 367.51
    n-butanol 504.78
    acetonitrile 203.64
    DMF 563.74
    toluene 92.43
    isobutanol 405.28
    1,4-dioxane 599.69
    methyl acetate 234.18
    THF 921.74
    2-butanone 249.61
    n-pentanol 334.94
    sec-butanol 452.34
    n-hexane 85.21
    ethylene glycol 201.09
    NMP 559.87
    cyclohexane 107.06
    DMSO 338.6
    n-butyl acetate 230.1
    n-octanol 253.76
    chloroform 513.31
    n-propyl acetate 152.79
    acetic acid 585.62
    dichloromethane 272.55
    cyclohexanone 479.79
    propylene glycol 382.56
    isopropyl acetate 161.39
    DMAc 488.48
    2-ethoxyethanol 303.96
    isopentanol 390.35
    n-heptane 62.83
    ethyl formate 224.15
    1,2-dichloroethane 162.25
    n-hexanol 597.89
    2-methoxyethanol 650.29
    isobutyl acetate 131.15
    tetrachloromethane 78.95
    n-pentyl acetate 146.71
    transcutol 853.46
    n-heptanol 215.7
    ethylbenzene 78.58
    MIBK 175.17
    2-propoxyethanol 613.16
    tert-butanol 682.27
    MTBE 316.87
    2-butoxyethanol 273.77
    propionic acid 396.6
    o-xylene 93.98
    formic acid 260.23
    diethyl ether 250.54
    m-xylene 95.37
    p-xylene 113.65
    chlorobenzene 135.34
    dimethyl carbonate 94.32
    n-octane 21.03
    formamide 152.57
    cyclopentanone 446.89
    2-pentanone 229.26
    anisole 154.6
    cyclopentyl methyl ether 340.91
    gamma-butyrolactone 500.77
    1-methoxy-2-propanol 501.23
    pyridine 248.74
    3-pentanone 158.65
    furfural 417.91
    n-dodecane 19.18
    diethylene glycol 446.17
    diisopropyl ether 93.3
    tert-amyl alcohol 502.22
    acetylacetone 230.42
    n-hexadecane 20.61
    acetophenone 146.72
    methyl propionate 184.23
    isopentyl acetate 220.21
    trichloroethylene 331.68
    n-nonanol 209.15
    cyclohexanol 465.75
    benzyl alcohol 168.68
    2-ethylhexanol 262.21
    isooctanol 154.55
    dipropyl ether 184.27
    1,2-dichlorobenzene 125.71
    ethyl lactate 133.39
    propylene carbonate 346.31
    n-methylformamide 269.67
    2-pentanol 315.57
    n-pentane 72.08
    1-propoxy-2-propanol 420.57
    1-methoxy-2-propyl acetate 247.9
    2-(2-methoxypropoxy) propanol 290.83
    mesitylene 73.22
    ε-caprolactone 423.86
    p-cymene 76.9
    epichlorohydrin 375.67
    1,1,1-trichloroethane 204.83
    2-aminoethanol 383.61
    morpholine-4-carbaldehyde 567.67
    sulfolane 475.66
    2,2,4-trimethylpentane 40.91
    2-methyltetrahydrofuran 547.6
    n-hexyl acetate 293.52
    isooctane 32.23
    2-(2-butoxyethoxy)ethanol 386.42
    sec-butyl acetate 117.72
    tert-butyl acetate 207.87
    decalin 46.45
    glycerin 417.55
    diglyme 502.76
    acrylic acid 290.56
    isopropyl myristate 114.43
    n-butyric acid 509.25
    acetyl acetate 160.2
    di(2-ethylhexyl) phthalate 129.99
    ethyl propionate 136.09
    nitromethane 415.4
    1,2-diethoxyethane 203.51
    benzonitrile 183.54
    trioctyl phosphate 102.19
    1-bromopropane 140.55
    gamma-valerolactone 622.64
    n-decanol 151.55
    triethyl phosphate 98.01
    4-methyl-2-pentanol 188.32
    propionitrile 200.03
    vinylene carbonate 286.21
    1,1,2-trichlorotrifluoroethane 400.06
    DMS 167.48
    cumene 70.57
    2-octanol 153.62
    2-hexanone 190.69
    octyl acetate 152.36
    limonene 128.61
    1,2-dimethoxyethane 499.44
    ethyl orthosilicate 102.12
    tributyl phosphate 120.53
    diacetone alcohol 316.18
    N,N-dimethylaniline 124.03
    acrylonitrile 196.57
    aniline 159.37
    1,3-propanediol 468.52
    bromobenzene 105.21
    dibromomethane 209.79
    1,1,2,2-tetrachloroethane 327.74
    2-methyl-cyclohexyl acetate 174.27
    tetrabutyl urea 154.38
    diisobutyl methanol 133.53
    2-phenylethanol 229.94
    styrene 81.35
    dioctyl adipate 157.91
    dimethyl sulfate 139.88
    ethyl butyrate 151.96
    methyl lactate 178.86
    butyl lactate 173.53
    diethyl carbonate 117.32
    propanediol butyl ether 364.18
    triethyl orthoformate 138.95
    p-tert-butyltoluene 80.63
    methyl 4-tert-butylbenzoate 197.96
    morpholine 709.18
    tert-butylamine 417.59
    n-dodecanol 111.36
    dimethoxymethane 302.62
    ethylene carbonate 249.58
    cyrene 246.22
    2-ethoxyethyl acetate 173.95
    2-ethylhexyl acetate 172.22
    1,2,4-trichlorobenzene 159.79
    4-methylpyridine 277.6
    dibutyl ether 166.7
    2,6-dimethyl-4-heptanol 133.53
    DEF 255.31
    dimethyl isosorbide 409.79
    tetrachloroethylene 210.79
    eugenol 195.69
    triacetin 228.98
    span 80 318.71
    1,4-butanediol 183.79
    1,1-dichloroethane 214.43
    2-methyl-1-pentanol 280.62
    methyl formate 218.92
    2-methyl-1-butanol 360.09
    n-decane 32.4
    butyronitrile 258.35
    3,7-dimethyl-1-octanol 208.29
    1-chlorooctane 102.19
    1-chlorotetradecane 46.26
    n-nonane 32.3
    undecane 23.82
    tert-butylcyclohexane 50.14
    cyclooctane 35.58
    cyclopentanol 450.69
    tetrahydropyran 572.6
    tert-amyl methyl ether 245.39
    2,5,8-trioxanonane 384.5
    1-hexene 182.3
    2-isopropoxyethanol 215.38
    2,2,2-trifluoroethanol 171.45
    methyl butyrate 195.73

    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

Botanical

Name CAS Botanical Proportion
Tagetes (USA) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 15.15%
Tagetes 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 11.4%
Tagetes (Hungary) 8016-84-0 Tagetes minuta L. (T. glandulifera Schrank), fam. Asteraceae (Compositae) 10.6%
Tagetes tenuifolia (Hungary) Tagetes tenuifolia Cav. (T. signata Bartl.), fam. Asteraceae (Compositae) 16.8%