4-[(13R)-7,13-dihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

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  • Identifiers

    CAS number
    206192-79-2

    Molecular formula
    C35H64O6

    SMILES
    CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCCC(CCCCCCC2=CC(OC2=O)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 41.1%
    Waxy 33.3%
    Fruity 32.49%
    Lactonic 31.91%
    Odorless 31.49%
    Fresh 31.39%
    Fatty 30.56%
    Peach 29.56%
    Sweet 28.62%
    Milky 26.67%

     

    Flavor
    Fatty 31.41%
    Mild 30.28%
    Waxy 29.78%
    Bland 28.56%
    Oily 26.93%
    Odorless 25.94%
    Herbal 24.42%
    Floral 21.99%
    Slightly waxy 21.62%
    Delicate 21.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.9

    pKa est.
    8.24 (weak base)

    Molecular weight
    580.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1410°C

    Flash point

    • 241.45 ˚C est.

  • Synonyms

    • 4-deoxyannoreticuin
    • DTXSID801104807
    • 206192-79-2
    • 206192-79-2

  • Applications

    4-[(13R)-7,13-dihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one (CAS 206192-79-2) is a lipophilic lactone commonly considered a fragrance ingredient and may serve as a synthetic intermediate for fragrance derivatives; in real-world practice it is used in perfumery/fragrance and cosmetics/personal care as a fragrance component or odor-modifying additive, in household products such as cleaners and air fresheners to impart aroma, as an intermediate in industrial manufacturing for the synthesis of other fragrance compounds, and as an odorant additive in coatings/inks or polymer formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.3
    methanol 10.61
    isopropanol 3.81
    water 0.1
    ethyl acetate 20.13
    n-propanol 8.21
    acetone 20.43
    n-butanol 8.72
    acetonitrile 5.1
    DMF 29.22
    toluene 12.04
    isobutanol 6.26
    1,4-dioxane 38.56
    methyl acetate 13.96
    THF 121.84
    2-butanone 26.66
    n-pentanol 9.54
    sec-butanol 6.96
    n-hexane 1.2
    ethylene glycol 0.9
    NMP 134.32
    cyclohexane 2.88
    DMSO 46.82
    n-butyl acetate 19.96
    n-octanol 16.04
    chloroform 87.98
    n-propyl acetate 20.46
    acetic acid 21.36
    dichloromethane 81.53
    cyclohexanone 88.12
    propylene glycol 2.31
    isopropyl acetate 20.04
    DMAc 100.57
    2-ethoxyethanol 27.09
    isopentanol 9.06
    n-heptane 1.47
    ethyl formate 13.57
    1,2-dichloroethane 38.47
    n-hexanol 7.99
    2-methoxyethanol 25.19
    isobutyl acetate 15.3
    tetrachloromethane 14.15
    n-pentyl acetate 53.02
    transcutol 145.76
    n-heptanol 14.6
    ethylbenzene 9.54
    MIBK 21.74
    2-propoxyethanol 30.03
    tert-butanol 5.54
    MTBE 12.69
    2-butoxyethanol 47.78
    propionic acid 13.07
    o-xylene 11.22
    formic acid 8.45
    diethyl ether 10.86
    m-xylene 9.52
    p-xylene 11.07
    chlorobenzene 20.07
    dimethyl carbonate 12.21
    n-octane 1.11
    formamide 12.39
    cyclopentanone 95.38
    2-pentanone 26.8
    anisole 19.79
    cyclopentyl methyl ether 44.75
    gamma-butyrolactone 99.23
    1-methoxy-2-propanol 23.89
    pyridine 40.06
    3-pentanone 24.67
    furfural 70.26
    n-dodecane 0.8
    diethylene glycol 11.05
    diisopropyl ether 4.83
    tert-amyl alcohol 10.1
    acetylacetone 39.35
    n-hexadecane 0.97
    acetophenone 30.22
    methyl propionate 20.81
    isopentyl acetate 23.53
    trichloroethylene 86.52
    n-nonanol 17.43
    cyclohexanol 16.41
    benzyl alcohol 15.83
    2-ethylhexanol 8.54
    isooctanol 13.98
    dipropyl ether 13.37
    1,2-dichlorobenzene 26.92
    ethyl lactate 14.63
    propylene carbonate 47.7
    n-methylformamide 14.11
    2-pentanol 6.0
    n-pentane 0.92
    1-propoxy-2-propanol 26.33
    1-methoxy-2-propyl acetate 32.88
    2-(2-methoxypropoxy) propanol 40.59
    mesitylene 6.1
    ε-caprolactone 97.6
    p-cymene 7.28
    epichlorohydrin 96.01
    1,1,1-trichloroethane 35.02
    2-aminoethanol 3.8
    morpholine-4-carbaldehyde 83.11
    sulfolane 165.08
    2,2,4-trimethylpentane 1.39
    2-methyltetrahydrofuran 61.72
    n-hexyl acetate 53.15
    isooctane 0.64
    2-(2-butoxyethoxy)ethanol 56.94
    sec-butyl acetate 18.58
    tert-butyl acetate 29.18
    decalin 2.73
    glycerin 5.69
    diglyme 113.93
    acrylic acid 11.77
    isopropyl myristate 14.87
    n-butyric acid 29.01
    acetyl acetate 18.0
    di(2-ethylhexyl) phthalate 18.38
    ethyl propionate 20.36
    nitromethane 36.01
    1,2-diethoxyethane 39.51
    benzonitrile 15.09
    trioctyl phosphate 13.14
    1-bromopropane 17.21
    gamma-valerolactone 154.02
    n-decanol 9.76
    triethyl phosphate 16.69
    4-methyl-2-pentanol 5.26
    propionitrile 6.34
    vinylene carbonate 41.24
    1,1,2-trichlorotrifluoroethane 79.5
    DMS 22.66
    cumene 7.37
    2-octanol 11.47
    2-hexanone 24.85
    octyl acetate 21.77
    limonene 10.87
    1,2-dimethoxyethane 43.26
    ethyl orthosilicate 18.43
    tributyl phosphate 15.66
    diacetone alcohol 32.16
    N,N-dimethylaniline 17.68
    acrylonitrile 8.1
    aniline 13.13
    1,3-propanediol 7.7
    bromobenzene 22.21
    dibromomethane 42.03
    1,1,2,2-tetrachloroethane 81.45
    2-methyl-cyclohexyl acetate 28.45
    tetrabutyl urea 23.74
    diisobutyl methanol 5.71
    2-phenylethanol 15.88
    styrene 9.18
    dioctyl adipate 27.78
    dimethyl sulfate 33.77
    ethyl butyrate 21.64
    methyl lactate 15.73
    butyl lactate 41.14
    diethyl carbonate 12.32
    propanediol butyl ether 33.61
    triethyl orthoformate 24.57
    p-tert-butyltoluene 6.77
    methyl 4-tert-butylbenzoate 53.39
    morpholine 52.57
    tert-butylamine 3.46
    n-dodecanol 5.86
    dimethoxymethane 29.44
    ethylene carbonate 36.14
    cyrene 49.7
    2-ethoxyethyl acetate 69.59
    2-ethylhexyl acetate 20.95
    1,2,4-trichlorobenzene 35.89
    4-methylpyridine 30.7
    dibutyl ether 20.15
    2,6-dimethyl-4-heptanol 5.71
    DEF 38.45
    dimethyl isosorbide 81.52
    tetrachloroethylene 55.4
    eugenol 42.86
    triacetin 62.25
    span 80 38.7
    1,4-butanediol 4.03
    1,1-dichloroethane 25.4
    2-methyl-1-pentanol 11.62
    methyl formate 11.42
    2-methyl-1-butanol 10.24
    n-decane 2.09
    butyronitrile 7.82
    3,7-dimethyl-1-octanol 12.82
    1-chlorooctane 11.92
    1-chlorotetradecane 3.11
    n-nonane 1.72
    undecane 1.21
    tert-butylcyclohexane 1.84
    cyclooctane 1.43
    cyclopentanol 18.95
    tetrahydropyran 46.28
    tert-amyl methyl ether 17.15
    2,5,8-trioxanonane 64.62
    1-hexene 4.55
    2-isopropoxyethanol 21.66
    2,2,2-trifluoroethanol 14.32
    methyl butyrate 28.48

    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