9-Oxonerolidol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    58865-88-6

    Molecular formula
    C15H24O2

    SMILES
    CC(=CC(=O)C/C(=C/CC[C@@](C)(C=C)O)/C)C

  • Odor profile

    Fragrance
    Floral 75.82%
    Woody 63.7%
    Sweet 60.89%
    Fruity 56.02%
    Rose 54.82%
    Citrus 52.68%
    Fresh 52.28%
    Green 41.94%
    Herbal 38.09%
    Spicy 32.41%

     

    Flavor
    Sweet 45.07%
    Green 44.83%
    Woody 42.8%
    Herbal 36.42%
    Floral 36.34%
    Tropical 30.95%
    Lavender 30.72%
    Citrus 29.29%
    Herb 26.76%
    Flower 26.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.34 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 137.27 ˚C est.

  • Synonyms

    • 9-Oxonerolidol
    • 58865-88-6
    • (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
    • (S,E)-10-Hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
    • HY-N2805
    • AKOS032948524
    • DA-50048
    • FS-10052
    • CS-0023346
    • 39703-15-6

  • Applications

    9-Oxonerolidol (CAS 58865-88-6) is a ketone-bearing sesquiterpenoid used mainly as a fragrance intermediate to build woody, ambery, floral and fruity accords; a raw material for tuning the odor of nerolidol and related terpenes; a direct odorant in fine fragrances, personal care, cleaners and air-care owing to its warm, woody, slightly fruity, long-lasting character; a precursor and building block in organic synthesis of sesquiterpenes, lactones, ionone or isochromene derivatives and other high-value aroma chemicals; a reference and marker in analysis of natural aromas and for tracking oxidative transformations of terpenes in foods, beverages, essential oils and botanicals; and a research handle in phytochemistry and medicinal chemistry to probe metabolism, build derivative libraries and tailor odor properties; additionally, with suitable volatility and stability it can act as a light fixative, extend scent longevity, and serve as a pro-fragrance that releases odor under oxidative or enzymatic conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 697.47
    methanol 908.48
    isopropanol 382.6
    water 0.99
    ethyl acetate 241.62
    n-propanol 386.2
    acetone 242.57
    n-butanol 370.13
    acetonitrile 126.38
    DMF 300.66
    toluene 94.14
    isobutanol 231.77
    1,4-dioxane 639.35
    methyl acetate 177.9
    THF 884.42
    2-butanone 212.71
    n-pentanol 287.93
    sec-butanol 298.8
    n-hexane 41.16
    ethylene glycol 50.52
    NMP 250.47
    cyclohexane 44.96
    DMSO 231.05
    n-butyl acetate 215.07
    n-octanol 190.1
    chloroform 325.59
    n-propyl acetate 162.21
    acetic acid 252.31
    dichloromethane 214.38
    cyclohexanone 296.35
    propylene glycol 157.03
    isopropyl acetate 174.14
    DMAc 334.01
    2-ethoxyethanol 365.82
    isopentanol 286.27
    n-heptane 30.58
    ethyl formate 138.17
    1,2-dichloroethane 122.63
    n-hexanol 380.27
    2-methoxyethanol 587.76
    isobutyl acetate 137.85
    tetrachloromethane 35.57
    n-pentyl acetate 136.42
    transcutol 1234.72
    n-heptanol 162.63
    ethylbenzene 74.37
    MIBK 159.22
    2-propoxyethanol 539.75
    tert-butanol 453.29
    MTBE 296.89
    2-butoxyethanol 278.83
    propionic acid 163.75
    o-xylene 65.61
    formic acid 101.73
    diethyl ether 270.79
    m-xylene 77.09
    p-xylene 94.26
    chlorobenzene 93.26
    dimethyl carbonate 59.83
    n-octane 14.23
    formamide 102.96
    cyclopentanone 265.63
    2-pentanone 198.36
    anisole 171.62
    cyclopentyl methyl ether 278.55
    gamma-butyrolactone 259.08
    1-methoxy-2-propanol 459.8
    pyridine 214.75
    3-pentanone 125.11
    furfural 228.72
    n-dodecane 14.45
    diethylene glycol 297.68
    diisopropyl ether 90.55
    tert-amyl alcohol 336.52
    acetylacetone 189.44
    n-hexadecane 15.69
    acetophenone 137.32
    methyl propionate 157.23
    isopentyl acetate 208.54
    trichloroethylene 222.32
    n-nonanol 168.16
    cyclohexanol 246.17
    benzyl alcohol 153.96
    2-ethylhexanol 192.08
    isooctanol 123.81
    dipropyl ether 184.82
    1,2-dichlorobenzene 85.14
    ethyl lactate 105.91
    propylene carbonate 177.11
    n-methylformamide 142.78
    2-pentanol 227.89
    n-pentane 31.08
    1-propoxy-2-propanol 383.03
    1-methoxy-2-propyl acetate 248.93
    2-(2-methoxypropoxy) propanol 282.47
    mesitylene 56.43
    ε-caprolactone 290.74
    p-cymene 59.22
    epichlorohydrin 309.43
    1,1,1-trichloroethane 124.9
    2-aminoethanol 178.66
    morpholine-4-carbaldehyde 402.86
    sulfolane 225.04
    2,2,4-trimethylpentane 21.97
    2-methyltetrahydrofuran 484.04
    n-hexyl acetate 251.98
    isooctane 19.23
    2-(2-butoxyethoxy)ethanol 413.64
    sec-butyl acetate 136.71
    tert-butyl acetate 206.18
    decalin 28.8
    glycerin 168.02
    diglyme 559.56
    acrylic acid 102.94
    isopropyl myristate 106.0
    n-butyric acid 280.52
    acetyl acetate 127.22
    di(2-ethylhexyl) phthalate 103.17
    ethyl propionate 145.91
    nitromethane 216.3
    1,2-diethoxyethane 327.97
    benzonitrile 128.97
    trioctyl phosphate 74.99
    1-bromopropane 111.22
    gamma-valerolactone 452.52
    n-decanol 123.29
    triethyl phosphate 87.08
    4-methyl-2-pentanol 153.59
    propionitrile 132.11
    vinylene carbonate 147.88
    1,1,2-trichlorotrifluoroethane 212.96
    DMS 130.23
    cumene 61.31
    2-octanol 119.32
    2-hexanone 177.81
    octyl acetate 133.25
    limonene 91.71
    1,2-dimethoxyethane 562.54
    ethyl orthosilicate 96.6
    tributyl phosphate 92.8
    diacetone alcohol 273.64
    N,N-dimethylaniline 128.87
    acrylonitrile 107.49
    aniline 128.98
    1,3-propanediol 282.92
    bromobenzene 78.71
    dibromomethane 148.71
    1,1,2,2-tetrachloroethane 218.71
    2-methyl-cyclohexyl acetate 162.81
    tetrabutyl urea 118.57
    diisobutyl methanol 105.78
    2-phenylethanol 192.49
    styrene 77.64
    dioctyl adipate 142.72
    dimethyl sulfate 70.46
    ethyl butyrate 165.11
    methyl lactate 102.84
    butyl lactate 148.0
    diethyl carbonate 110.95
    propanediol butyl ether 297.5
    triethyl orthoformate 142.38
    p-tert-butyltoluene 61.83
    methyl 4-tert-butylbenzoate 163.62
    morpholine 769.08
    tert-butylamine 262.94
    n-dodecanol 92.1
    dimethoxymethane 306.08
    ethylene carbonate 138.9
    cyrene 196.79
    2-ethoxyethyl acetate 188.59
    2-ethylhexyl acetate 164.21
    1,2,4-trichlorobenzene 106.12
    4-methylpyridine 227.69
    dibutyl ether 198.17
    2,6-dimethyl-4-heptanol 105.78
    DEF 202.04
    dimethyl isosorbide 390.78
    tetrachloroethylene 121.02
    eugenol 170.6
    triacetin 199.04
    span 80 271.92
    1,4-butanediol 117.19
    1,1-dichloroethane 138.64
    2-methyl-1-pentanol 242.22
    methyl formate 97.24
    2-methyl-1-butanol 233.63
    n-decane 25.5
    butyronitrile 194.09
    3,7-dimethyl-1-octanol 172.59
    1-chlorooctane 86.94
    1-chlorotetradecane 37.77
    n-nonane 23.59
    undecane 18.55
    tert-butylcyclohexane 33.65
    cyclooctane 16.67
    cyclopentanol 203.82
    tetrahydropyran 559.04
    tert-amyl methyl ether 211.3
    2,5,8-trioxanonane 411.88
    1-hexene 130.96
    2-isopropoxyethanol 255.27
    2,2,2-trifluoroethanol 50.09
    methyl butyrate 181.83

    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
Ginger (Japan) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.7%
Ho leaf (Vietnam) 2 8022-91-1 Cinnamomum camphora Sieb. linaloolifera Fujita, fam. Lauraceae 0.5%