(5S)-3-((2R,11R)-2,11-Dihydroxy-11-((2R,2'R,5R,5'R)-octahydro-5'-((1R)-1-hydroxyundecyl)(2,2'-bifuran)-5-yl)undecyl)-5-methyl-2(5H)-furanone

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  • Identifiers

    CAS number
    152378-19-3

    Molecular formula
    C35H62O7

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

    Safety labels

  • Odor profile

    Fragrance
    Oily 36.63%
    Lactonic 33.05%
    Fruity 31.98%
    Odorless 31.47%
    Peach 31.09%
    Fresh 29.38%
    Sweet 28.0%
    Fatty 27.06%
    Waxy 26.76%
    Milky 26.38%

     

    Flavor
    Fatty 31.65%
    Bland 27.4%
    Mild 26.13%
    Odorless 25.68%
    Waxy 24.2%
    Oily 23.37%
    Bitter 22.85%
    Herbal 22.36%
    Cedarleaf 21.3%
    Sweet-like 20.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.6

    pKa est.
    7.9 (neutral)

    Molecular weight
    594.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1592°C

    Flash point

    • 238.56 ˚C est.

  • Synonyms

    • parviflorin
    • (2S)-4-((2R,11R)-2,11-dihydroxy-11-((2R,5R)-5-((2R,5R)-5-((1R)-1-hydroxyundecyl)oxolan-2-yl)oxolan-2-yl)undecyl)-2-methyl-2H-furan-5-one
    • (2S)-4-[(2R,11R)-2,11-dihydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one
    • 152378-19-3
    • RefChem:170125
    • DTXCID501526369
    • (5S)-3-((2R,11R)-2,11-Dihydroxy-11-((2R,2'R,5R,5'R)-octahydro-5'-((1R)-1-hydroxyundecyl)(2,2'-bifuran)-5-yl)undecyl)-5-methyl-2(5H)-furanone
    • DTXSID801043930
    • CHEMBL448258
    • SCHEMBL14666083
    • CHEBI:176190
    • (2S)-4-[(2R,11R)-2,11-dihydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-uran-5-one
    • 152378-19-3

  • Applications

    The compound (5S)-3-((2R,11R)-2,11-Dihydroxy-11-((2R,2'R,5R,5'R)-octahydro-5'-((1R)-1-hydroxyundecyl)(2,2'-bifuran)-5-yl)undecyl)-5-methyl-2(5H)-furanone (CAS 152378-19-3) is primarily used as a fragrance-related ingredient and fixative in perfumery and cosmetics, with applications in household products that carry a scent. Owing to its multi-functional hydroxy groups and lipophilic backbone, it is frequently evaluated as a building block for synthesizing additional aroma compounds and as a chiral intermediate in fragrance chemistry. In industrial manufacturing, it may serve as a specialty chemical intermediate for aroma-related syntheses and as a formulation aid in scented products. In coatings and inks, it can function as a fragrance additive to impart consumer-appealing odors. It may also be explored as a chiral building block in pharmaceutical research, subject to development considerations and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.86
    methanol 12.42
    isopropanol 4.88
    water 0.2
    ethyl acetate 33.24
    n-propanol 10.96
    acetone 26.59
    n-butanol 11.45
    acetonitrile 8.41
    DMF 47.41
    toluene 14.55
    isobutanol 7.23
    1,4-dioxane 44.7
    methyl acetate 24.62
    THF 129.67
    2-butanone 38.36
    n-pentanol 10.5
    sec-butanol 8.66
    n-hexane 0.91
    ethylene glycol 1.66
    NMP 202.12
    cyclohexane 1.94
    DMSO 59.44
    n-butyl acetate 22.74
    n-octanol 14.95
    chloroform 123.15
    n-propyl acetate 24.94
    acetic acid 45.5
    dichloromethane 114.76
    cyclohexanone 98.89
    propylene glycol 3.69
    isopropyl acetate 27.21
    DMAc 152.1
    2-ethoxyethanol 35.18
    isopentanol 9.87
    n-heptane 1.11
    ethyl formate 21.28
    1,2-dichloroethane 48.33
    n-hexanol 8.46
    2-methoxyethanol 37.79
    isobutyl acetate 16.16
    tetrachloromethane 16.42
    n-pentyl acetate 52.54
    transcutol 147.37
    n-heptanol 13.89
    ethylbenzene 9.67
    MIBK 22.95
    2-propoxyethanol 37.84
    tert-butanol 5.93
    MTBE 13.11
    2-butoxyethanol 51.16
    propionic acid 24.58
    o-xylene 12.66
    formic acid 19.21
    diethyl ether 12.78
    m-xylene 10.57
    p-xylene 10.66
    chlorobenzene 26.99
    dimethyl carbonate 24.24
    n-octane 0.78
    formamide 24.53
    cyclopentanone 120.09
    2-pentanone 35.15
    anisole 22.77
    cyclopentyl methyl ether 52.12
    gamma-butyrolactone 149.93
    1-methoxy-2-propanol 34.04
    pyridine 52.31
    3-pentanone 33.28
    furfural 104.17
    n-dodecane 0.65
    diethylene glycol 15.66
    diisopropyl ether 4.9
    tert-amyl alcohol 10.92
    acetylacetone 52.4
    n-hexadecane 0.78
    acetophenone 37.83
    methyl propionate 36.27
    isopentyl acetate 25.01
    trichloroethylene 129.79
    n-nonanol 16.57
    cyclohexanol 18.82
    benzyl alcohol 19.71
    2-ethylhexanol 8.2
    isooctanol 12.2
    dipropyl ether 12.49
    1,2-dichlorobenzene 34.82
    ethyl lactate 21.69
    propylene carbonate 76.14
    n-methylformamide 26.11
    2-pentanol 7.73
    n-pentane 0.79
    1-propoxy-2-propanol 30.51
    1-methoxy-2-propyl acetate 43.39
    2-(2-methoxypropoxy) propanol 43.49
    mesitylene 5.69
    ε-caprolactone 132.26
    p-cymene 6.78
    epichlorohydrin 136.4
    1,1,1-trichloroethane 46.24
    2-aminoethanol 6.24
    morpholine-4-carbaldehyde 126.22
    sulfolane 220.1
    2,2,4-trimethylpentane 1.1
    2-methyltetrahydrofuran 72.61
    n-hexyl acetate 52.56
    isooctane 0.5
    2-(2-butoxyethoxy)ethanol 60.97
    sec-butyl acetate 21.63
    tert-butyl acetate 32.31
    decalin 2.01
    glycerin 9.68
    diglyme 120.79
    acrylic acid 24.78
    isopropyl myristate 14.16
    n-butyric acid 47.69
    acetyl acetate 31.72
    di(2-ethylhexyl) phthalate 18.5
    ethyl propionate 26.92
    nitromethane 71.52
    1,2-diethoxyethane 36.44
    benzonitrile 19.03
    trioctyl phosphate 13.42
    1-bromopropane 19.92
    gamma-valerolactone 214.0
    n-decanol 9.34
    triethyl phosphate 19.45
    4-methyl-2-pentanol 5.66
    propionitrile 8.97
    vinylene carbonate 68.77
    1,1,2-trichlorotrifluoroethane 121.47
    DMS 31.02
    cumene 6.82
    2-octanol 10.0
    2-hexanone 26.28
    octyl acetate 22.54
    limonene 10.2
    1,2-dimethoxyethane 48.49
    ethyl orthosilicate 19.5
    tributyl phosphate 16.17
    diacetone alcohol 37.35
    N,N-dimethylaniline 19.0
    acrylonitrile 13.62
    aniline 18.73
    1,3-propanediol 11.31
    bromobenzene 29.38
    dibromomethane 56.71
    1,1,2,2-tetrachloroethane 111.29
    2-methyl-cyclohexyl acetate 28.25
    tetrabutyl urea 23.63
    diisobutyl methanol 4.89
    2-phenylethanol 18.12
    styrene 9.98
    dioctyl adipate 28.42
    dimethyl sulfate 62.38
    ethyl butyrate 24.4
    methyl lactate 29.1
    butyl lactate 45.27
    diethyl carbonate 15.17
    propanediol butyl ether 35.47
    triethyl orthoformate 26.35
    p-tert-butyltoluene 6.2
    methyl 4-tert-butylbenzoate 57.31
    morpholine 69.26
    tert-butylamine 3.27
    n-dodecanol 5.51
    dimethoxymethane 42.49
    ethylene carbonate 57.98
    cyrene 59.37
    2-ethoxyethyl acetate 78.88
    2-ethylhexyl acetate 21.96
    1,2,4-trichlorobenzene 48.09
    4-methylpyridine 42.39
    dibutyl ether 16.94
    2,6-dimethyl-4-heptanol 4.89
    DEF 54.68
    dimethyl isosorbide 86.35
    tetrachloroethylene 71.48
    eugenol 45.65
    triacetin 73.97
    span 80 40.08
    1,4-butanediol 5.52
    1,1-dichloroethane 34.48
    2-methyl-1-pentanol 11.5
    methyl formate 21.48
    2-methyl-1-butanol 11.84
    n-decane 1.62
    butyronitrile 10.06
    3,7-dimethyl-1-octanol 11.52
    1-chlorooctane 10.33
    1-chlorotetradecane 2.69
    n-nonane 1.28
    undecane 0.96
    tert-butylcyclohexane 1.33
    cyclooctane 1.1
    cyclopentanol 23.5
    tetrahydropyran 47.92
    tert-amyl methyl ether 18.58
    2,5,8-trioxanonane 69.66
    1-hexene 3.85
    2-isopropoxyethanol 25.51
    2,2,2-trifluoroethanol 30.36
    methyl butyrate 36.09

    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