(5S)-3-[(2R)-2-Hydroxy-7-[(2R,2a(2)R,5S,5a(2)R)-octahydro-5a(2)-[(1R)-1-hydroxypentadecyl][2,2a(2)-bifuran]-5-yl]heptyl]-5-methyl-2(5H)-furanone

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  • Identifiers

    CAS number
    168075-15-8

    Molecular formula
    C35H62O6

    SMILES
    CCCCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)CCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 38.64%
    Fruity 37.79%
    Peach 34.2%
    Lactonic 34.15%
    Fatty 32.92%
    Waxy 32.09%
    Fresh 30.74%
    Sweet 29.38%
    Milky 28.13%
    Jasmin 27.72%

     

    Flavor
    Fatty 33.6%
    Waxy 28.68%
    Oily 26.83%
    Mild 26.58%
    Bland 26.15%
    Herbal 23.31%
    Odorless 22.61%
    Slightly waxy 21.41%
    Cedarleaf 21.15%
    Mentholic 20.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.8

    pKa est.
    8.13 (weak base)

    Molecular weight
    578.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1233°C

    Flash point

    • 229.97 ˚C est.

  • Synonyms

    • DTXSID701102315
    • (5S)-3-[(2R)-2-Hydroxy-7-[(2R,2a(2)R,5S,5a(2)R)-octahydro-5a(2)-[(1R)-1-hydroxypentadecyl][2,2a(2)-bifuran]-5-yl]heptyl]-5-methyl-2(5H)-furanone
    • 168075-15-8
    • 168075-15-8

  • Applications

    The chemical (5S)-3-[(2R)-2-Hydroxy-7-[(2R,2a(2)R,5S,5a(2)R)-octahydro-5a(2)-[(1R)-1-hydroxypentadecyl][2,2a(2)-bifuran]-5-yl]heptyl]-5-methyl-2(5H)-furanone (CAS 168075-15-8) is used in fragrance technology as an odorant and potentially as a fixative, contributing to complex scent profiles in perfumery. It is commonly evaluated for cosmetic and personal care formulations as a fragrance ingredient to enhance aroma and fragrance longevity. In household products, it can serve as a fragrance component in air fresheners and cleaners to impart distinctive notes. In industrial manufacturing, it may be used as an intermediate in fragrance synthesis or as a specialty odorant additive to tailor odor characteristics in coatings, inks, or polymer formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.82
    methanol 13.01
    isopropanol 6.93
    water 0.16
    ethyl acetate 46.23
    n-propanol 13.65
    acetone 40.51
    n-butanol 14.4
    acetonitrile 13.49
    DMF 49.03
    toluene 22.57
    isobutanol 10.22
    1,4-dioxane 60.08
    methyl acetate 32.72
    THF 181.7
    2-butanone 52.13
    n-pentanol 15.13
    sec-butanol 11.56
    n-hexane 1.52
    ethylene glycol 1.37
    NMP 203.05
    cyclohexane 3.8
    DMSO 66.24
    n-butyl acetate 36.62
    n-octanol 21.15
    chloroform 214.57
    n-propyl acetate 41.85
    acetic acid 46.67
    dichloromethane 202.94
    cyclohexanone 143.6
    propylene glycol 3.23
    isopropyl acetate 41.37
    DMAc 168.89
    2-ethoxyethanol 41.09
    isopentanol 14.52
    n-heptane 1.8
    ethyl formate 27.6
    1,2-dichloroethane 84.76
    n-hexanol 11.9
    2-methoxyethanol 37.27
    isobutyl acetate 29.43
    tetrachloromethane 28.29
    n-pentyl acetate 83.59
    transcutol 183.87
    n-heptanol 19.05
    ethylbenzene 15.78
    MIBK 37.37
    2-propoxyethanol 44.92
    tert-butanol 9.16
    MTBE 19.45
    2-butoxyethanol 65.75
    propionic acid 26.37
    o-xylene 18.22
    formic acid 15.34
    diethyl ether 18.65
    m-xylene 16.11
    p-xylene 19.07
    chlorobenzene 46.73
    dimethyl carbonate 26.06
    n-octane 1.3
    formamide 22.02
    cyclopentanone 165.22
    2-pentanone 52.02
    anisole 35.28
    cyclopentyl methyl ether 68.75
    gamma-butyrolactone 192.09
    1-methoxy-2-propanol 36.2
    pyridine 77.56
    3-pentanone 45.64
    furfural 124.41
    n-dodecane 1.12
    diethylene glycol 16.11
    diisopropyl ether 7.69
    tert-amyl alcohol 14.6
    acetylacetone 75.57
    n-hexadecane 1.36
    acetophenone 54.88
    methyl propionate 43.58
    isopentyl acetate 40.81
    trichloroethylene 207.25
    n-nonanol 23.32
    cyclohexanol 25.72
    benzyl alcohol 27.53
    2-ethylhexanol 12.34
    isooctanol 18.25
    dipropyl ether 19.81
    1,2-dichlorobenzene 58.33
    ethyl lactate 27.23
    propylene carbonate 95.79
    n-methylformamide 25.67
    2-pentanol 10.32
    n-pentane 1.24
    1-propoxy-2-propanol 38.77
    1-methoxy-2-propyl acetate 56.77
    2-(2-methoxypropoxy) propanol 57.94
    mesitylene 9.4
    ε-caprolactone 170.11
    p-cymene 11.11
    epichlorohydrin 186.81
    1,1,1-trichloroethane 87.8
    2-aminoethanol 5.63
    morpholine-4-carbaldehyde 133.1
    sulfolane 250.49
    2,2,4-trimethylpentane 1.72
    2-methyltetrahydrofuran 104.32
    n-hexyl acetate 81.76
    isooctane 0.81
    2-(2-butoxyethoxy)ethanol 76.45
    sec-butyl acetate 35.57
    tert-butyl acetate 50.28
    decalin 3.56
    glycerin 7.8
    diglyme 164.33
    acrylic acid 24.22
    isopropyl myristate 23.72
    n-butyric acid 59.06
    acetyl acetate 43.75
    di(2-ethylhexyl) phthalate 28.13
    ethyl propionate 41.45
    nitromethane 80.99
    1,2-diethoxyethane 55.37
    benzonitrile 30.91
    trioctyl phosphate 19.5
    1-bromopropane 35.87
    gamma-valerolactone 256.38
    n-decanol 13.43
    triethyl phosphate 28.51
    4-methyl-2-pentanol 8.42
    propionitrile 13.92
    vinylene carbonate 84.86
    1,1,2-trichlorotrifluoroethane 137.1
    DMS 40.61
    cumene 11.46
    2-octanol 14.98
    2-hexanone 44.28
    octyl acetate 34.99
    limonene 16.48
    1,2-dimethoxyethane 66.16
    ethyl orthosilicate 29.12
    tributyl phosphate 24.33
    diacetone alcohol 49.49
    N,N-dimethylaniline 27.47
    acrylonitrile 18.39
    aniline 25.65
    1,3-propanediol 11.83
    bromobenzene 53.12
    dibromomethane 101.78
    1,1,2,2-tetrachloroethane 178.77
    2-methyl-cyclohexyl acetate 45.44
    tetrabutyl urea 35.11
    diisobutyl methanol 7.99
    2-phenylethanol 25.28
    styrene 16.92
    dioctyl adipate 44.99
    dimethyl sulfate 64.3
    ethyl butyrate 39.44
    methyl lactate 28.17
    butyl lactate 61.84
    diethyl carbonate 24.1
    propanediol butyl ether 41.3
    triethyl orthoformate 40.44
    p-tert-butyltoluene 9.88
    methyl 4-tert-butylbenzoate 78.78
    morpholine 84.22
    tert-butylamine 5.31
    n-dodecanol 8.25
    dimethoxymethane 48.96
    ethylene carbonate 76.49
    cyrene 71.27
    2-ethoxyethyl acetate 110.34
    2-ethylhexyl acetate 35.85
    1,2,4-trichlorobenzene 76.81
    4-methylpyridine 63.82
    dibutyl ether 28.44
    2,6-dimethyl-4-heptanol 7.99
    DEF 67.42
    dimethyl isosorbide 117.59
    tetrachloroethylene 110.66
    eugenol 62.88
    triacetin 102.9
    span 80 51.03
    1,4-butanediol 6.21
    1,1-dichloroethane 64.1
    2-methyl-1-pentanol 17.27
    methyl formate 21.91
    2-methyl-1-butanol 15.82
    n-decane 2.74
    butyronitrile 16.28
    3,7-dimethyl-1-octanol 17.8
    1-chlorooctane 17.15
    1-chlorotetradecane 4.67
    n-nonane 2.17
    undecane 1.63
    tert-butylcyclohexane 2.37
    cyclooctane 1.77
    cyclopentanol 30.47
    tetrahydropyran 75.84
    tert-amyl methyl ether 25.1
    2,5,8-trioxanonane 93.75
    1-hexene 6.9
    2-isopropoxyethanol 33.48
    2,2,2-trifluoroethanol 30.66
    methyl butyrate 55.94

    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