Edunol

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  • Identifiers

    CAS number
    37706-60-8

    Molecular formula
    C21H20O5

    SMILES
    CC(=CCC1=CC2=C(C=C1O)OC[C@H]3[C@@H]2OC4=CC5=C(C=C34)OCO5)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 55.19%
    Phenolic 34.26%
    Sweet 32.83%
    Balsamic 24.92%
    Floral 22.13%
    Fruity 21.66%
    Warm 21.35%
    Smoky 21.07%
    Powdery 20.86%
    Vanilla 20.6%

     

    Flavor
    Bitter 90.51%
    Cedarleaf 19.42%
    Parsley 19.04%
    Bland 18.59%
    Lovage 18.45%
    Sweet-like 17.62%
    Ripe apricot 17.3%
    Eugenol 17.3%
    Red fruit 17.05%
    Very strong 16.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.38 (neutral)

    Molecular weight
    352.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    783°C

    Flash point

    • 219.33 ˚C est.

  • Synonyms

    • Edunol
    • 37706-60-8
    • (+)-Edunol
    • 7XZ154TZV0
    • (1S,12S)-15-(3-methylbut-2-enyl)-5,7,11,19-tetraoxapentacyclo(10.8.0.02,10.04,8.013,18)icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
    • (1S,12S)-15-(3-Methylbut-2-enyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
    • RefChem:136316
    • UNII-7XZ154TZV0
    • EDUNOL (PTEROCARPAN)
    • 6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 6a,12a-dihydro-2-(3-methyl-2-butenyl)-
    • SCHEMBL14812146
    • XE161731
    • (6AS,12AS)-6A,12A-DIHYDRO-2-(3-METHYL-2-BUTEN-1-YL)-6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-3-OL
    • 6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-3-OL, 6A,12A-DIHYDRO-2-(3-METHYL-2-BUTEN-1-YL)-, (6AS,12AS)-
    • 6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-3-OL, 6A,12A-DIHYDRO-2-(3-METHYL-2-BUTENYL)-, (6AS,12AS)-
    • 6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-3-OL, 6A,12A-DIHYDRO-2-(3-METHYL-2-BUTENYL)-, (6AS-CIS)-
    • 37706-60-8

  • Applications

    Edunol is commonly used as a fragrance ingredient in the perfumery and fragrance industry. It is also considered for use in cosmetics and personal care as a fragrance component. In household products such as cleaners and air fresheners, Edunol can serve as a fragrance additive. Additionally, it may be used as an intermediate in the synthesis of other fragrance compounds for industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.47
    methanol 5.74
    isopropanol 5.26
    water 0.05
    ethyl acetate 30.96
    n-propanol 4.92
    acetone 36.16
    n-butanol 6.04
    acetonitrile 23.5
    DMF 28.66
    toluene 10.46
    isobutanol 4.52
    1,4-dioxane 61.56
    methyl acetate 29.88
    THF 80.34
    2-butanone 32.16
    n-pentanol 6.37
    sec-butanol 3.56
    n-hexane 0.09
    ethylene glycol 4.52
    NMP 17.84
    cyclohexane 0.44
    DMSO 67.45
    n-butyl acetate 21.32
    n-octanol 8.55
    chloroform 121.11
    n-propyl acetate 23.59
    acetic acid 40.45
    dichloromethane 77.82
    cyclohexanone 42.89
    propylene glycol 4.52
    isopropyl acetate 25.9
    DMAc 75.72
    2-ethoxyethanol 36.1
    isopentanol 9.28
    n-heptane 0.38
    ethyl formate 19.84
    1,2-dichloroethane 39.09
    n-hexanol 7.02
    2-methoxyethanol 44.1
    isobutyl acetate 21.49
    tetrachloromethane 6.3
    n-pentyl acetate 21.79
    transcutol 163.54
    n-heptanol 7.98
    ethylbenzene 4.46
    MIBK 24.01
    2-propoxyethanol 48.11
    tert-butanol 9.29
    MTBE 7.24
    2-butoxyethanol 33.61
    propionic acid 14.02
    o-xylene 5.45
    formic acid 14.21
    diethyl ether 7.74
    m-xylene 6.66
    p-xylene 7.86
    chlorobenzene 17.62
    dimethyl carbonate 30.14
    n-octane 0.29
    formamide 24.2
    cyclopentanone 45.42
    2-pentanone 24.24
    anisole 20.35
    cyclopentyl methyl ether 15.86
    gamma-butyrolactone 49.36
    1-methoxy-2-propanol 32.55
    pyridine 47.49
    3-pentanone 20.57
    furfural 59.98
    n-dodecane 0.64
    diethylene glycol 47.48
    diisopropyl ether 3.67
    tert-amyl alcohol 5.25
    acetylacetone 57.01
    n-hexadecane 0.78
    acetophenone 28.09
    methyl propionate 24.46
    isopentyl acetate 25.62
    trichloroethylene 120.13
    n-nonanol 10.71
    cyclohexanol 7.44
    benzyl alcohol 20.45
    2-ethylhexanol 6.6
    isooctanol 8.45
    dipropyl ether 9.1
    1,2-dichlorobenzene 19.65
    ethyl lactate 18.43
    propylene carbonate 30.27
    n-methylformamide 15.14
    2-pentanol 4.1
    n-pentane 0.11
    1-propoxy-2-propanol 28.77
    1-methoxy-2-propyl acetate 47.09
    2-(2-methoxypropoxy) propanol 47.69
    mesitylene 4.2
    ε-caprolactone 35.35
    p-cymene 5.38
    epichlorohydrin 87.56
    1,1,1-trichloroethane 36.16
    2-aminoethanol 5.8
    morpholine-4-carbaldehyde 59.48
    sulfolane 48.95
    2,2,4-trimethylpentane 0.22
    2-methyltetrahydrofuran 19.29
    n-hexyl acetate 26.45
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 60.56
    sec-butyl acetate 18.34
    tert-butyl acetate 29.05
    decalin 0.51
    glycerin 15.64
    diglyme 120.02
    acrylic acid 19.43
    isopropyl myristate 16.06
    n-butyric acid 25.55
    acetyl acetate 45.54
    di(2-ethylhexyl) phthalate 18.29
    ethyl propionate 21.74
    nitromethane 88.9
    1,2-diethoxyethane 42.52
    benzonitrile 27.53
    trioctyl phosphate 12.66
    1-bromopropane 8.98
    gamma-valerolactone 83.87
    n-decanol 8.23
    triethyl phosphate 16.37
    4-methyl-2-pentanol 5.69
    propionitrile 18.7
    vinylene carbonate 40.43
    1,1,2-trichlorotrifluoroethane 82.0
    DMS 31.57
    cumene 3.66
    2-octanol 5.2
    2-hexanone 23.08
    octyl acetate 18.61
    limonene 5.11
    1,2-dimethoxyethane 68.68
    ethyl orthosilicate 15.43
    tributyl phosphate 15.14
    diacetone alcohol 35.49
    N,N-dimethylaniline 12.65
    acrylonitrile 31.68
    aniline 16.81
    1,3-propanediol 16.23
    bromobenzene 19.24
    dibromomethane 33.02
    1,1,2,2-tetrachloroethane 82.42
    2-methyl-cyclohexyl acetate 22.36
    tetrabutyl urea 20.69
    diisobutyl methanol 6.43
    2-phenylethanol 22.25
    styrene 5.62
    dioctyl adipate 26.39
    dimethyl sulfate 42.65
    ethyl butyrate 20.62
    methyl lactate 22.78
    butyl lactate 20.48
    diethyl carbonate 18.99
    propanediol butyl ether 25.64
    triethyl orthoformate 21.25
    p-tert-butyltoluene 4.98
    methyl 4-tert-butylbenzoate 31.51
    morpholine 46.6
    tert-butylamine 3.11
    n-dodecanol 6.57
    dimethoxymethane 51.13
    ethylene carbonate 35.33
    cyrene 38.81
    2-ethoxyethyl acetate 45.54
    2-ethylhexyl acetate 18.47
    1,2,4-trichlorobenzene 27.87
    4-methylpyridine 30.21
    dibutyl ether 12.05
    2,6-dimethyl-4-heptanol 6.43
    DEF 23.14
    dimethyl isosorbide 71.28
    tetrachloroethylene 42.81
    eugenol 33.3
    triacetin 45.95
    span 80 28.55
    1,4-butanediol 7.48
    1,1-dichloroethane 30.4
    2-methyl-1-pentanol 7.68
    methyl formate 18.17
    2-methyl-1-butanol 5.23
    n-decane 0.89
    butyronitrile 14.58
    3,7-dimethyl-1-octanol 10.86
    1-chlorooctane 4.71
    1-chlorotetradecane 2.68
    n-nonane 0.59
    undecane 0.74
    tert-butylcyclohexane 0.4
    cyclooctane 0.23
    cyclopentanol 7.1
    tetrahydropyran 23.17
    tert-amyl methyl ether 5.85
    2,5,8-trioxanonane 97.94
    1-hexene 0.68
    2-isopropoxyethanol 27.33
    2,2,2-trifluoroethanol 21.02
    methyl butyrate 24.96

    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