rel-(3aR,6E,10R,11aS)-3a,4,5,8,9,10,11,11a-Octahydro-9-hydroxy-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one

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  • Identifiers

    CAS number
    17909-94-3

    Molecular formula
    C15H24O3

    SMILES
    C[C@H]1C[C@@H]2[C@@H](CC/C(=C/CC1O)/C)C(C(=O)O2)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 42.49%
    Woody 40.75%
    Mint 39.17%
    Sweet 38.62%
    Coconut 38.09%
    Herbal 37.93%
    Coumarinic 36.28%
    Lactonic 34.65%
    Hay 34.27%
    Floral 33.25%

     

    Flavor
    Minty 44.83%
    Bitter 42.02%
    Herbal 32.29%
    Mint 24.12%
    Spice 23.02%
    Spearmint 21.25%
    Spicy 21.04%
    Coumarin 20.53%
    Leaves 20.23%
    Cedarleaf 20.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.11 (weak base)

    Molecular weight
    252.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    512°C

    Flash point

    • 168.48 ˚C est.

  • Synonyms

    • DTXSID101110348
    • 17909-94-3
    • rel-(3aR,6E,10R,11aS)-3a,4,5,8,9,10,11,11a-Octahydro-9-hydroxy-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one
    • 17909-94-3

  • Applications

    rel-(3aR,6E,10R,11aS)-3a,4,5,8,9,10,11,11a-Octahydro-9-hydroxy-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one (CAS 17909-94-3) is used primarily as a fragrance ingredient and odorant in the perfume and cosmetics industries, where its chiral lactone framework contributes to nuanced aroma notes and as a potential fixative component. It is commonly evaluated as a chiral building block in pharmaceutical synthesis and broader specialty chemical manufacture, enabling downstream stereoselective routes. In addition, it may serve as a scent modifier in household products such as cleaners, air fresheners, and personal care formulations. The compound can serve as an intermediate for specialty polymers or coatings formulations where precise aroma or chiral characteristics are relevant, and its use is typically subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 295.78
    methanol 466.48
    isopropanol 256.36
    water 3.58
    ethyl acetate 151.67
    n-propanol 237.89
    acetone 208.55
    n-butanol 220.76
    acetonitrile 135.23
    DMF 300.85
    toluene 162.67
    isobutanol 183.13
    1,4-dioxane 471.23
    methyl acetate 179.36
    THF 437.89
    2-butanone 230.31
    n-pentanol 150.68
    sec-butanol 165.06
    n-hexane 3.39
    ethylene glycol 67.62
    NMP 207.47
    cyclohexane 14.82
    DMSO 312.2
    n-butyl acetate 159.32
    n-octanol 72.43
    chloroform 680.26
    n-propyl acetate 144.29
    acetic acid 239.52
    dichloromethane 485.03
    cyclohexanone 295.98
    propylene glycol 88.85
    isopropyl acetate 126.96
    DMAc 301.14
    2-ethoxyethanol 262.32
    isopentanol 201.86
    n-heptane 3.11
    ethyl formate 152.42
    1,2-dichloroethane 222.42
    n-hexanol 148.24
    2-methoxyethanol 355.82
    isobutyl acetate 125.36
    tetrachloromethane 77.33
    n-pentyl acetate 115.3
    transcutol 716.77
    n-heptanol 85.48
    ethylbenzene 79.63
    MIBK 127.19
    2-propoxyethanol 271.22
    tert-butanol 222.4
    MTBE 117.8
    2-butoxyethanol 183.85
    propionic acid 156.43
    o-xylene 99.2
    formic acid 128.0
    diethyl ether 110.71
    m-xylene 107.5
    p-xylene 117.8
    chlorobenzene 175.41
    dimethyl carbonate 71.45
    n-octane 2.75
    formamide 185.39
    cyclopentanone 286.41
    2-pentanone 157.89
    anisole 146.19
    cyclopentyl methyl ether 134.66
    gamma-butyrolactone 306.76
    1-methoxy-2-propanol 255.69
    pyridine 357.1
    3-pentanone 113.85
    furfural 347.9
    n-dodecane 3.64
    diethylene glycol 242.76
    diisopropyl ether 36.57
    tert-amyl alcohol 146.91
    acetylacetone 191.6
    n-hexadecane 4.29
    acetophenone 159.26
    methyl propionate 120.39
    isopentyl acetate 166.16
    trichloroethylene 492.17
    n-nonanol 68.39
    cyclohexanol 151.69
    benzyl alcohol 179.87
    2-ethylhexanol 77.83
    isooctanol 73.03
    dipropyl ether 43.83
    1,2-dichlorobenzene 152.36
    ethyl lactate 87.01
    propylene carbonate 200.75
    n-methylformamide 185.83
    2-pentanol 116.18
    n-pentane 4.94
    1-propoxy-2-propanol 159.45
    1-methoxy-2-propyl acetate 162.85
    2-(2-methoxypropoxy) propanol 163.05
    mesitylene 62.95
    ε-caprolactone 255.03
    p-cymene 48.55
    epichlorohydrin 336.87
    1,1,1-trichloroethane 193.79
    2-aminoethanol 141.75
    morpholine-4-carbaldehyde 316.38
    sulfolane 277.09
    2,2,4-trimethylpentane 6.25
    2-methyltetrahydrofuran 241.11
    n-hexyl acetate 137.8
    isooctane 6.11
    2-(2-butoxyethoxy)ethanol 235.09
    sec-butyl acetate 106.7
    tert-butyl acetate 120.71
    decalin 11.69
    glycerin 139.33
    diglyme 391.51
    acrylic acid 145.18
    isopropyl myristate 55.29
    n-butyric acid 224.55
    acetyl acetate 133.16
    di(2-ethylhexyl) phthalate 79.9
    ethyl propionate 96.55
    nitromethane 283.49
    1,2-diethoxyethane 177.03
    benzonitrile 211.71
    trioctyl phosphate 53.71
    1-bromopropane 109.14
    gamma-valerolactone 407.56
    n-decanol 49.3
    triethyl phosphate 57.65
    4-methyl-2-pentanol 91.78
    propionitrile 134.97
    vinylene carbonate 226.53
    1,1,2-trichlorotrifluoroethane 270.17
    DMS 123.67
    cumene 60.29
    2-octanol 52.95
    2-hexanone 139.06
    octyl acetate 69.19
    limonene 51.72
    1,2-dimethoxyethane 334.06
    ethyl orthosilicate 57.43
    tributyl phosphate 62.12
    diacetone alcohol 150.31
    N,N-dimethylaniline 103.11
    acrylonitrile 172.92
    aniline 193.62
    1,3-propanediol 215.23
    bromobenzene 172.2
    dibromomethane 288.34
    1,1,2,2-tetrachloroethane 382.3
    2-methyl-cyclohexyl acetate 101.93
    tetrabutyl urea 73.67
    diisobutyl methanol 47.88
    2-phenylethanol 159.24
    styrene 92.24
    dioctyl adipate 84.08
    dimethyl sulfate 111.89
    ethyl butyrate 99.25
    methyl lactate 93.39
    butyl lactate 109.4
    diethyl carbonate 79.05
    propanediol butyl ether 179.65
    triethyl orthoformate 77.68
    p-tert-butyltoluene 44.46
    methyl 4-tert-butylbenzoate 128.44
    morpholine 428.18
    tert-butylamine 115.3
    n-dodecanol 37.89
    dimethoxymethane 192.49
    ethylene carbonate 191.26
    cyrene 171.15
    2-ethoxyethyl acetate 177.18
    2-ethylhexyl acetate 121.53
    1,2,4-trichlorobenzene 188.65
    4-methylpyridine 312.35
    dibutyl ether 54.25
    2,6-dimethyl-4-heptanol 47.88
    DEF 144.96
    dimethyl isosorbide 221.95
    tetrachloroethylene 251.31
    eugenol 154.95
    triacetin 151.33
    span 80 135.4
    1,4-butanediol 108.97
    1,1-dichloroethane 227.88
    2-methyl-1-pentanol 152.42
    methyl formate 143.48
    2-methyl-1-butanol 163.88
    n-decane 5.93
    butyronitrile 148.66
    3,7-dimethyl-1-octanol 76.62
    1-chlorooctane 31.43
    1-chlorotetradecane 14.03
    n-nonane 4.56
    undecane 4.47
    tert-butylcyclohexane 9.52
    cyclooctane 5.84
    cyclopentanol 151.84
    tetrahydropyran 301.64
    tert-amyl methyl ether 76.99
    2,5,8-trioxanonane 266.47
    1-hexene 24.0
    2-isopropoxyethanol 181.99
    2,2,2-trifluoroethanol 107.75
    methyl butyrate 141.73

    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