(3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroxy-10-methyl-3,6-bis(methylene)cyclodeca(b)furan-2(3H)-one

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  • Identifiers

    CAS number
    64845-92-7

    Molecular formula
    C15H20O3

    SMILES
    C/C/1=C\[C@@H]2[C@@H](CCC(=C)[C@@H](CC1)O)C(=C)C(=O)O2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 57.09%
    Mint 45.09%
    Caramellic 42.75%
    Spicy 40.27%
    Nutty 35.78%
    Burnt 35.41%
    Coumarinic 33.65%
    Tobacco 33.29%
    Hay 30.78%
    Phenolic 30.7%

     

    Flavor
    Bitter 74.18%
    Minty 27.93%
    Lovage 20.89%
    Basil 20.7%
    Spice 20.22%
    Leaves 19.91%
    Fenugreek 19.74%
    Cedarleaf 19.68%
    Maple syrup 19.4%
    Shrimp 19.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.62 (neutral)

    Molecular weight
    248.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    524°C

    Flash point

    • 172.45 ˚C est.

  • Synonyms

    • Artemorin
    • 64845-92-7
    • CHEBI:2853
    • DTXSID501107545
    • (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one
    • (3aS,7R,10E,11aR)-7-hydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
    • (7R,10E)-7-hydroxy-10-methyl-3,6-bis(methylidene)-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-2(3H)-one
    • (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroxy-10-methyl-3,6-bis(methylene)cyclodeca(b)furan-2(3H)-one
    • (3aS,7R,10E,11aR)-7-hydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca(b)furan-2-one
    • (7R,10E)-7-hydroxy-10-methyl-3,6-bis(methylidene)-3a,4,5,6,7,8,9,11a-octahydrocyclodeca(b)furan-2(3H)-one
    • RefChem:1050162
    • DTXCID601539193
    • (3aS,10E)-3,6-Dimethylene-7alpha-hydroxy-10-methyl-2,3,3abeta,4,5,6,7,8,9,11aalpha-decahydrocyclodeca[b]furan-2-one
    • C09345
    • orb1992155
    • SCHEMBL10307302
    • AKOS040734591
    • Q27105850
    • Artemorin

  • Applications

    Compound (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroxy-10-methyl-3,6-bis(methylene)cyclodeca(b)furan-2(3H)-one (CAS 64845-92-7) is a chiral bicyclic lactone whose real-world applications are primarily as an intermediate and aroma-related building block in chemical synthesis. In perfumery and flavor applications, it may serve as a fragrance/aroma precursor or contribute to refined notes in formulated products; in cosmetics and personal care, it may be used as a fragrance ingredient or formulation intermediate where permitted by regulations. In industrial manufacturing, it is often considered as a chiral building block for the synthesis of specialty chemicals, including potential pharmaceutical intermediates; in polymer chemistry, it may be explored as a functional monomer or additive for lactone-containing polymer systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 186.98
    methanol 306.48
    isopropanol 204.09
    water 0.44
    ethyl acetate 132.99
    n-propanol 169.15
    acetone 174.65
    n-butanol 175.49
    acetonitrile 74.73
    DMF 277.37
    toluene 110.39
    isobutanol 131.15
    1,4-dioxane 375.5
    methyl acetate 130.95
    THF 410.26
    2-butanone 190.04
    n-pentanol 108.26
    sec-butanol 129.07
    n-hexane 0.92
    ethylene glycol 29.28
    NMP 152.34
    cyclohexane 3.9
    DMSO 241.38
    n-butyl acetate 116.69
    n-octanol 44.98
    chloroform 348.94
    n-propyl acetate 105.22
    acetic acid 135.34
    dichloromethane 270.18
    cyclohexanone 234.96
    propylene glycol 53.0
    isopropyl acetate 104.43
    DMAc 265.15
    2-ethoxyethanol 202.51
    isopentanol 174.58
    n-heptane 1.17
    ethyl formate 101.12
    1,2-dichloroethane 142.16
    n-hexanol 103.59
    2-methoxyethanol 309.84
    isobutyl acetate 83.29
    tetrachloromethane 25.79
    n-pentyl acetate 77.7
    transcutol 687.12
    n-heptanol 57.13
    ethylbenzene 46.16
    MIBK 109.16
    2-propoxyethanol 210.79
    tert-butanol 194.03
    MTBE 82.3
    2-butoxyethanol 133.01
    propionic acid 93.05
    o-xylene 62.7
    formic acid 69.44
    diethyl ether 71.17
    m-xylene 79.33
    p-xylene 64.24
    chlorobenzene 100.51
    dimethyl carbonate 58.6
    n-octane 1.1
    formamide 125.75
    cyclopentanone 237.05
    2-pentanone 143.42
    anisole 104.3
    cyclopentyl methyl ether 111.06
    gamma-butyrolactone 223.21
    1-methoxy-2-propanol 252.07
    pyridine 254.59
    3-pentanone 82.1
    furfural 234.85
    n-dodecane 1.66
    diethylene glycol 177.14
    diisopropyl ether 24.6
    tert-amyl alcohol 121.18
    acetylacetone 163.23
    n-hexadecane 1.95
    acetophenone 114.05
    methyl propionate 97.11
    isopentyl acetate 121.79
    trichloroethylene 324.39
    n-nonanol 43.8
    cyclohexanol 110.78
    benzyl alcohol 133.23
    2-ethylhexanol 50.2
    isooctanol 51.12
    dipropyl ether 27.89
    1,2-dichlorobenzene 88.1
    ethyl lactate 62.03
    propylene carbonate 142.46
    n-methylformamide 128.66
    2-pentanol 100.44
    n-pentane 1.38
    1-propoxy-2-propanol 128.88
    1-methoxy-2-propyl acetate 130.34
    2-(2-methoxypropoxy) propanol 129.28
    mesitylene 41.85
    ε-caprolactone 185.0
    p-cymene 28.33
    epichlorohydrin 283.13
    1,1,1-trichloroethane 99.9
    2-aminoethanol 75.83
    morpholine-4-carbaldehyde 245.38
    sulfolane 208.89
    2,2,4-trimethylpentane 2.54
    2-methyltetrahydrofuran 189.95
    n-hexyl acetate 89.4
    isooctane 2.85
    2-(2-butoxyethoxy)ethanol 198.74
    sec-butyl acetate 78.06
    tert-butyl acetate 101.01
    decalin 4.16
    glycerin 90.22
    diglyme 320.74
    acrylic acid 77.53
    isopropyl myristate 37.72
    n-butyric acid 164.01
    acetyl acetate 89.18
    di(2-ethylhexyl) phthalate 55.78
    ethyl propionate 70.17
    nitromethane 177.03
    1,2-diethoxyethane 147.22
    benzonitrile 133.28
    trioctyl phosphate 36.08
    1-bromopropane 54.81
    gamma-valerolactone 312.16
    n-decanol 31.98
    triethyl phosphate 40.06
    4-methyl-2-pentanol 77.0
    propionitrile 80.06
    vinylene carbonate 140.22
    1,1,2-trichlorotrifluoroethane 176.28
    DMS 87.49
    cumene 33.82
    2-octanol 37.3
    2-hexanone 98.8
    octyl acetate 47.47
    limonene 31.53
    1,2-dimethoxyethane 275.12
    ethyl orthosilicate 39.17
    tributyl phosphate 42.03
    diacetone alcohol 142.56
    N,N-dimethylaniline 71.24
    acrylonitrile 108.16
    aniline 145.21
    1,3-propanediol 164.11
    bromobenzene 91.76
    dibromomethane 139.21
    1,1,2,2-tetrachloroethane 240.0
    2-methyl-cyclohexyl acetate 71.27
    tetrabutyl urea 55.33
    diisobutyl methanol 34.31
    2-phenylethanol 114.84
    styrene 53.6
    dioctyl adipate 59.17
    dimethyl sulfate 84.02
    ethyl butyrate 69.67
    methyl lactate 70.24
    butyl lactate 77.1
    diethyl carbonate 52.25
    propanediol butyl ether 133.65
    triethyl orthoformate 53.55
    p-tert-butyltoluene 26.73
    methyl 4-tert-butylbenzoate 94.64
    morpholine 370.23
    tert-butylamine 74.21
    n-dodecanol 24.13
    dimethoxymethane 201.09
    ethylene carbonate 119.28
    cyrene 131.02
    2-ethoxyethyl acetate 128.08
    2-ethylhexyl acetate 84.99
    1,2,4-trichlorobenzene 108.79
    4-methylpyridine 228.21
    dibutyl ether 35.58
    2,6-dimethyl-4-heptanol 34.31
    DEF 121.9
    dimethyl isosorbide 178.33
    tetrachloroethylene 142.7
    eugenol 111.39
    triacetin 102.29
    span 80 100.48
    1,4-butanediol 67.48
    1,1-dichloroethane 133.13
    2-methyl-1-pentanol 115.51
    methyl formate 99.95
    2-methyl-1-butanol 126.66
    n-decane 2.53
    butyronitrile 101.93
    3,7-dimethyl-1-octanol 53.93
    1-chlorooctane 17.04
    1-chlorotetradecane 7.52
    n-nonane 1.81
    undecane 1.99
    tert-butylcyclohexane 3.64
    cyclooctane 1.73
    cyclopentanol 107.66
    tetrahydropyran 219.16
    tert-amyl methyl ether 53.98
    2,5,8-trioxanonane 218.97
    1-hexene 9.15
    2-isopropoxyethanol 143.76
    2,2,2-trifluoroethanol 54.08
    methyl butyrate 102.79

    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