(-)-Pluviatolide

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  • Identifiers

    CAS number
    28115-68-6

    Molecular formula
    C20H20O6

    SMILES
    COC1=C(C=CC(=C1)C[C@@H]2[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4)O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 57.73%
    Vanilla 51.22%
    Sweet 50.25%
    Floral 38.64%
    Balsamic 34.6%
    Powdery 31.08%
    Phenolic 28.66%
    Creamy 27.82%
    Odorless 26.02%
    Warm 24.74%

     

    Flavor
    Bitter 85.7%
    Bland 23.53%
    Parsley 21.21%
    Cedarleaf 20.77%
    Sweet-like 20.72%
    Lovage 20.38%
    Eugenol 19.76%
    Naphthalic 19.57%
    Ethyl benzoate 19.29%
    Ripe apricot 18.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.49 (neutral)

    Molecular weight
    356.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    739°C

    Flash point

    • 194.75 ˚C est.

  • Synonyms

    • Pluviatolide
    • 28115-68-6
    • (-)-Pluviatolide
    • CHEBI:90896
    • (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
    • (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)oxolan-2-one
    • RefChem:67935
    • (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone
    • (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3h)-one
    • CHEMBL63962
    • orb1681870
    • SCHEMBL18243823
    • DTXSID00950854
    • HY-N9926
    • AKOS040762210
    • (3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
    • CS-0213961
    • C21191
    • Q27162877
    • 4-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
    • ((3R,4R)-4-(2H-1,3-Benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
    • (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one
    • (3R,4R)-4-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-3-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]OXOLAN-2-ONE
    • (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one
    • 2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R-trans)-
    • 28115-68-6

  • Applications

    (-)-Pluviatolide (CAS 28115-68-6) is primarily used in the fragrance industry as an odorant and fragrance ingredient for perfumery, cosmetics, and personal care products; its chiral nature makes it a valuable building block in fragrance synthesis and it can serve as an intermediate in related chemical processes. It may also be incorporated into household and cleaning product formulations as a fragrance component, and, subject to local regulations and formulation limits, can appear in broader industrial manufacturing as an intermediate or specialty aroma compound.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.93
    methanol 17.67
    isopropanol 18.62
    water 0.18
    ethyl acetate 20.95
    n-propanol 13.19
    acetone 77.96
    n-butanol 12.05
    acetonitrile 32.81
    DMF 52.91
    toluene 3.9
    isobutanol 8.77
    1,4-dioxane 60.88
    methyl acetate 23.25
    THF 161.95
    2-butanone 32.0
    n-pentanol 11.38
    sec-butanol 10.32
    n-hexane 0.11
    ethylene glycol 15.41
    NMP 12.09
    cyclohexane 0.33
    DMSO 230.74
    n-butyl acetate 9.07
    n-octanol 10.1
    chloroform 46.47
    n-propyl acetate 13.45
    acetic acid 63.2
    dichloromethane 37.16
    cyclohexanone 34.09
    propylene glycol 12.89
    isopropyl acetate 18.93
    DMAc 73.3
    2-ethoxyethanol 71.46
    isopentanol 13.88
    n-heptane 0.35
    ethyl formate 15.7
    1,2-dichloroethane 20.76
    n-hexanol 8.61
    2-methoxyethanol 98.97
    isobutyl acetate 11.12
    tetrachloromethane 3.0
    n-pentyl acetate 13.79
    transcutol 150.01
    n-heptanol 9.96
    ethylbenzene 2.4
    MIBK 21.05
    2-propoxyethanol 52.78
    tert-butanol 26.69
    MTBE 9.39
    2-butoxyethanol 33.81
    propionic acid 15.69
    o-xylene 2.75
    formic acid 33.54
    diethyl ether 10.25
    m-xylene 2.76
    p-xylene 3.63
    chlorobenzene 6.19
    dimethyl carbonate 22.5
    n-octane 0.44
    formamide 67.36
    cyclopentanone 51.8
    2-pentanone 26.22
    anisole 11.6
    cyclopentyl methyl ether 12.5
    gamma-butyrolactone 50.12
    1-methoxy-2-propanol 71.55
    pyridine 24.24
    3-pentanone 14.51
    furfural 41.74
    n-dodecane 0.68
    diethylene glycol 66.26
    diisopropyl ether 3.34
    tert-amyl alcohol 13.72
    acetylacetone 60.69
    n-hexadecane 0.77
    acetophenone 14.77
    methyl propionate 17.25
    isopentyl acetate 12.51
    trichloroethylene 49.51
    n-nonanol 11.75
    cyclohexanol 10.02
    benzyl alcohol 17.07
    2-ethylhexanol 5.91
    isooctanol 9.64
    dipropyl ether 7.08
    1,2-dichlorobenzene 7.62
    ethyl lactate 15.45
    propylene carbonate 19.38
    n-methylformamide 29.92
    2-pentanol 8.29
    n-pentane 0.11
    1-propoxy-2-propanol 31.0
    1-methoxy-2-propyl acetate 27.04
    2-(2-methoxypropoxy) propanol 39.85
    mesitylene 1.99
    ε-caprolactone 20.42
    p-cymene 2.74
    epichlorohydrin 73.92
    1,1,1-trichloroethane 16.52
    2-aminoethanol 17.57
    morpholine-4-carbaldehyde 48.38
    sulfolane 53.14
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 20.61
    n-hexyl acetate 17.25
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 55.82
    sec-butyl acetate 9.72
    tert-butyl acetate 23.45
    decalin 0.33
    glycerin 39.62
    diglyme 98.59
    acrylic acid 20.08
    isopropyl myristate 10.32
    n-butyric acid 25.8
    acetyl acetate 26.13
    di(2-ethylhexyl) phthalate 11.6
    ethyl propionate 11.24
    nitromethane 142.77
    1,2-diethoxyethane 33.2
    benzonitrile 16.79
    trioctyl phosphate 9.07
    1-bromopropane 5.14
    gamma-valerolactone 80.41
    n-decanol 9.05
    triethyl phosphate 8.45
    4-methyl-2-pentanol 7.94
    propionitrile 19.38
    vinylene carbonate 20.96
    1,1,2-trichlorotrifluoroethane 55.38
    DMS 17.66
    cumene 2.08
    2-octanol 7.62
    2-hexanone 17.36
    octyl acetate 12.33
    limonene 3.06
    1,2-dimethoxyethane 83.73
    ethyl orthosilicate 8.68
    tributyl phosphate 10.36
    diacetone alcohol 42.66
    N,N-dimethylaniline 7.77
    acrylonitrile 29.35
    aniline 9.34
    1,3-propanediol 41.5
    bromobenzene 5.86
    dibromomethane 16.41
    1,1,2,2-tetrachloroethane 36.37
    2-methyl-cyclohexyl acetate 11.91
    tetrabutyl urea 15.86
    diisobutyl methanol 5.53
    2-phenylethanol 16.38
    styrene 2.77
    dioctyl adipate 16.55
    dimethyl sulfate 32.67
    ethyl butyrate 9.63
    methyl lactate 23.32
    butyl lactate 16.61
    diethyl carbonate 8.6
    propanediol butyl ether 30.35
    triethyl orthoformate 10.77
    p-tert-butyltoluene 2.5
    methyl 4-tert-butylbenzoate 22.25
    morpholine 51.73
    tert-butylamine 6.6
    n-dodecanol 6.96
    dimethoxymethane 82.32
    ethylene carbonate 18.41
    cyrene 30.21
    2-ethoxyethyl acetate 28.87
    2-ethylhexyl acetate 7.61
    1,2,4-trichlorobenzene 9.81
    4-methylpyridine 14.61
    dibutyl ether 10.58
    2,6-dimethyl-4-heptanol 5.53
    DEF 17.43
    dimethyl isosorbide 50.3
    tetrachloroethylene 20.51
    eugenol 27.82
    triacetin 29.83
    span 80 24.34
    1,4-butanediol 22.06
    1,1-dichloroethane 16.7
    2-methyl-1-pentanol 10.05
    methyl formate 30.65
    2-methyl-1-butanol 9.14
    n-decane 1.02
    butyronitrile 15.46
    3,7-dimethyl-1-octanol 9.99
    1-chlorooctane 4.43
    1-chlorotetradecane 2.37
    n-nonane 0.77
    undecane 0.81
    tert-butylcyclohexane 0.29
    cyclooctane 0.17
    cyclopentanol 12.07
    tetrahydropyran 23.43
    tert-amyl methyl ether 7.08
    2,5,8-trioxanonane 80.21
    1-hexene 0.84
    2-isopropoxyethanol 42.2
    2,2,2-trifluoroethanol 31.61
    methyl butyrate 12.93

    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