Aegelinol

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  • Identifiers

    CAS number
    21860-31-1

    Molecular formula
    C14H14O4

    SMILES
    CC1([C@@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 64.83%
    Vanilla 42.87%
    Coumarinic 41.15%
    Powdery 39.99%
    Creamy 39.11%
    Phenolic 35.5%
    Coconut 33.65%
    Hay 32.69%
    Tobacco 26.24%
    Nutty 26.22%

     

    Flavor
    Bitter 81.34%
    Sweet 43.83%
    Tonka 26.28%
    Vanilla 23.92%
    Woody 22.92%
    Powdery 22.19%
    Balsam 20.46%
    Tobacco 20.42%
    Coconut 20.38%
    Naphthalic 20.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.33 (weak base)

    Molecular weight
    246.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    469°C

    Flash point

    • 199.4 ˚C est.

  • Synonyms

    • Decursinol, (-)-
    • 21860-31-1
    • (-)-Decursinol
    • (-)-Smyrinol
    • I65EAN940H
    • (R)-3'-Hydroxy-3',4'-dihydroxanthyletin
    • DTXSID90176263
    • (3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
    • 2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 7,8-dihydro-7-hydroxy-8,8-dimethyl-, (R)-
    • (3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano(3,2-g)chromen-8-one
    • RefChem:109857
    • DTXCID6098754
    • 3-hydroxy-2,2-dimethyl-3,4-dihydropyrano(3,2-g)chromen-8-one
    • Aegelinol
    • (R)-7-hydroxy-8,8-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one
    • (R)-7-Hydroxy-8,8-dimethyl-7,8-dihydro-2H,6H-benzo[1,2-b
    • UNII-I65EAN940H
    • SCHEMBL18845442
    • (-)-3'-hydroxy-3',4'-dihydroxanthyletin
    • F70959
    • Q27280500
    • (7R)-7-Hydroxy-8,8-dimethyl-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one
    • (R)-7-HYDROXY-8,8-DIMETHYL-7,8-DIHYDROPYRANO[3,2-G]CHROMEN-2(6H)-ONE
    • 21860-31-1

  • Applications

    Aegelinol is a hydroxyl-containing compound used mainly as an intermediate in organic synthesis and may function as a solvent or processing aid in industrial formulations; in polymers/plastics, coatings/inks, and adhesives, it often acts as a co-solvent, processing aid, or a precursor for polymer reactions and helps tune formulation properties; it may also be used in cleaning formulations and in cosmetics/personal care contexts, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.12
    methanol 46.81
    isopropanol 24.25
    water 0.35
    ethyl acetate 43.72
    n-propanol 23.49
    acetone 69.12
    n-butanol 19.66
    acetonitrile 34.63
    DMF 273.71
    toluene 4.91
    isobutanol 17.08
    1,4-dioxane 80.99
    methyl acetate 60.68
    THF 156.74
    2-butanone 58.96
    n-pentanol 12.92
    sec-butanol 14.86
    n-hexane 0.18
    ethylene glycol 24.96
    NMP 97.08
    cyclohexane 0.28
    DMSO 244.69
    n-butyl acetate 34.72
    n-octanol 6.07
    chloroform 38.71
    n-propyl acetate 34.95
    acetic acid 66.68
    dichloromethane 39.04
    cyclohexanone 57.32
    propylene glycol 17.64
    isopropyl acetate 32.58
    DMAc 310.36
    2-ethoxyethanol 89.67
    isopentanol 24.72
    n-heptane 0.32
    ethyl formate 31.93
    1,2-dichloroethane 32.99
    n-hexanol 13.6
    2-methoxyethanol 156.25
    isobutyl acetate 25.84
    tetrachloromethane 2.81
    n-pentyl acetate 18.31
    transcutol 295.22
    n-heptanol 8.94
    ethylbenzene 4.16
    MIBK 32.72
    2-propoxyethanol 90.7
    tert-butanol 37.62
    MTBE 22.54
    2-butoxyethanol 41.02
    propionic acid 32.99
    o-xylene 5.49
    formic acid 61.65
    diethyl ether 20.0
    m-xylene 5.68
    p-xylene 7.01
    chlorobenzene 11.15
    dimethyl carbonate 44.15
    n-octane 0.22
    formamide 118.01
    cyclopentanone 91.12
    2-pentanone 38.6
    anisole 26.87
    cyclopentyl methyl ether 32.21
    gamma-butyrolactone 108.47
    1-methoxy-2-propanol 98.16
    pyridine 41.33
    3-pentanone 27.86
    furfural 97.86
    n-dodecane 0.34
    diethylene glycol 106.63
    diisopropyl ether 6.19
    tert-amyl alcohol 24.36
    acetylacetone 65.61
    n-hexadecane 0.4
    acetophenone 34.25
    methyl propionate 46.35
    isopentyl acetate 36.34
    trichloroethylene 73.85
    n-nonanol 7.13
    cyclohexanol 13.96
    benzyl alcohol 28.1
    2-ethylhexanol 10.14
    isooctanol 9.15
    dipropyl ether 10.43
    1,2-dichlorobenzene 14.56
    ethyl lactate 30.15
    propylene carbonate 53.37
    n-methylformamide 102.1
    2-pentanol 11.36
    n-pentane 0.18
    1-propoxy-2-propanol 49.69
    1-methoxy-2-propyl acetate 62.53
    2-(2-methoxypropoxy) propanol 57.86
    mesitylene 4.06
    ε-caprolactone 57.41
    p-cymene 5.75
    epichlorohydrin 136.42
    1,1,1-trichloroethane 17.74
    2-aminoethanol 34.13
    morpholine-4-carbaldehyde 186.57
    sulfolane 120.55
    2,2,4-trimethylpentane 0.44
    2-methyltetrahydrofuran 49.15
    n-hexyl acetate 21.57
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 75.37
    sec-butyl acetate 25.19
    tert-butyl acetate 37.64
    decalin 0.57
    glycerin 51.86
    diglyme 147.79
    acrylic acid 37.15
    isopropyl myristate 11.03
    n-butyric acid 40.39
    acetyl acetate 32.02
    di(2-ethylhexyl) phthalate 16.12
    ethyl propionate 30.39
    nitromethane 151.17
    1,2-diethoxyethane 54.72
    benzonitrile 26.45
    trioctyl phosphate 10.47
    1-bromopropane 8.61
    gamma-valerolactone 152.54
    n-decanol 5.75
    triethyl phosphate 20.61
    4-methyl-2-pentanol 11.58
    propionitrile 26.65
    vinylene carbonate 55.99
    1,1,2-trichlorotrifluoroethane 100.42
    DMS 43.08
    cumene 4.4
    2-octanol 5.18
    2-hexanone 29.59
    octyl acetate 13.61
    limonene 6.4
    1,2-dimethoxyethane 133.7
    ethyl orthosilicate 19.14
    tributyl phosphate 15.24
    diacetone alcohol 58.12
    N,N-dimethylaniline 19.91
    acrylonitrile 40.63
    aniline 16.86
    1,3-propanediol 53.53
    bromobenzene 9.02
    dibromomethane 15.9
    1,1,2,2-tetrachloroethane 57.83
    2-methyl-cyclohexyl acetate 24.6
    tetrabutyl urea 20.67
    diisobutyl methanol 8.28
    2-phenylethanol 27.92
    styrene 4.65
    dioctyl adipate 19.66
    dimethyl sulfate 82.75
    ethyl butyrate 25.37
    methyl lactate 45.18
    butyl lactate 23.24
    diethyl carbonate 22.68
    propanediol butyl ether 36.85
    triethyl orthoformate 22.99
    p-tert-butyltoluene 5.65
    methyl 4-tert-butylbenzoate 32.56
    morpholine 106.91
    tert-butylamine 11.53
    n-dodecanol 4.63
    dimethoxymethane 138.48
    ethylene carbonate 48.85
    cyrene 52.69
    2-ethoxyethyl acetate 44.36
    2-ethylhexyl acetate 25.92
    1,2,4-trichlorobenzene 21.44
    4-methylpyridine 41.69
    dibutyl ether 9.61
    2,6-dimethyl-4-heptanol 8.28
    DEF 58.16
    dimethyl isosorbide 87.69
    tetrachloroethylene 30.19
    eugenol 36.11
    triacetin 40.0
    span 80 30.08
    1,4-butanediol 18.55
    1,1-dichloroethane 18.89
    2-methyl-1-pentanol 16.04
    methyl formate 80.96
    2-methyl-1-butanol 18.22
    n-decane 0.47
    butyronitrile 21.42
    3,7-dimethyl-1-octanol 9.96
    1-chlorooctane 2.7
    1-chlorotetradecane 1.59
    n-nonane 0.34
    undecane 0.39
    tert-butylcyclohexane 0.6
    cyclooctane 0.17
    cyclopentanol 16.47
    tetrahydropyran 35.31
    tert-amyl methyl ether 17.94
    2,5,8-trioxanonane 105.51
    1-hexene 1.24
    2-isopropoxyethanol 54.64
    2,2,2-trifluoroethanol 35.95
    methyl butyrate 38.58

    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