Glycyrol

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  • Identifiers

    CAS number
    23013-84-5

    Molecular formula
    C21H18O6

    SMILES
    CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 47.55%
    Spicy 36.66%
    Fruity 32.57%
    Woody 29.62%
    Burnt 26.83%
    Dry 26.71%
    Odorless 26.32%
    Animal 26.17%
    Smoky 25.81%
    Leathery 24.13%

     

    Flavor
    Bitter 93.12%
    Parsley 20.07%
    Cedarleaf 20.07%
    Bland 19.94%
    Odorless 19.71%
    Lovage 19.35%
    Ripe apricot 18.36%
    Nitrile 18.3%
    Red fruit 18.19%
    Sweet-like 18.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.85 (weak base)

    Molecular weight
    366.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    888°C

    Melting point expt.

    • 243.5 - 245 °C

    Flash point

    • 263.82 ˚C est.

  • Synonyms

    • Glycyrol
    • Neoglycyrol
    • 23013-84-5
    • 6C3DSA537F
    • 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
    • 1,9-Dihydroxy-3-methoxy-2-prenylcoumestan
    • CHEBI:80832
    • DTXSID00177569
    • 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-1-methoxy-2-(3-methyl-2-butenyl)-
    • 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-(1)benzofuro(3,2-c)chromen-6-one
    • RefChem:37542
    • DTXCID10100060
    • 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-
    • 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)benzofuro[3,2-c]chromen-6-one
    • 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one
    • Neoglycerol
    • 6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE, 3,9-DIHYDROXY-1-METHOXY-2-(3-METHYL-2-BUTEN-1-YL)-
    • 3,9-Dihydroxy-1-methoxy-2-prenylcoumestan
    • UNII-6C3DSA537F
    • MLS000697623
    • SCHEMBL758197
    • CHEMBL132695
    • orb1297270
    • SCHEMBL29499208
    • HMS2270J05
    • HY-N3961
    • AKOS032949068
    • EBC-510382
    • DA-56099
    • MS-25857
    • SMR000470955
    • CS-0024524
    • C16968
    • Q27149874
    • 3,9-Dihydroxy-1-methoxy-2-(3-methyl-but-2-enyl)-benzofuro[3,2-c][1]benzopyran-6-one
    • 3,9-DIHYDROXY-1-METHOXY-2-(3-METHYL-2-BUTEN-1-YL)-6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE
    • 5,14-dihydroxy-3-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one
    • 23013-84-5

  • Applications

    Glycyrol (CAS 23013-84-5) is a natural product derived from licorice root and is evaluated for a range of practical applications, including as a fragrance ingredient in perfumery and as a flavoring agent in foods, as well as in cosmetics and personal care as a fragrance component; it may also be used in household cleaning products as a scent ingredient; it can serve as an intermediate in organic synthesis within industrial manufacturing; and it is studied for potential bioactivity relevant to pharmaceutical or nutraceutical development; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.11
    methanol 10.58
    isopropanol 8.92
    water 0.02
    ethyl acetate 18.85
    n-propanol 11.35
    acetone 55.52
    n-butanol 9.68
    acetonitrile 14.68
    DMF 235.02
    toluene 3.84
    isobutanol 9.78
    1,4-dioxane 42.28
    methyl acetate 36.18
    THF 122.37
    2-butanone 49.99
    n-pentanol 6.89
    sec-butanol 8.82
    n-hexane 0.07
    ethylene glycol 13.28
    NMP 237.51
    cyclohexane 0.2
    DMSO 286.13
    n-butyl acetate 13.76
    n-octanol 3.18
    chloroform 36.6
    n-propyl acetate 17.23
    acetic acid 62.75
    dichloromethane 31.78
    cyclohexanone 69.95
    propylene glycol 21.1
    isopropyl acetate 12.61
    DMAc 283.47
    2-ethoxyethanol 37.28
    isopentanol 9.7
    n-heptane 0.09
    ethyl formate 18.57
    1,2-dichloroethane 22.7
    n-hexanol 4.65
    2-methoxyethanol 93.91
    isobutyl acetate 12.62
    tetrachloromethane 2.11
    n-pentyl acetate 12.19
    transcutol 91.55
    n-heptanol 4.14
    ethylbenzene 1.79
    MIBK 14.18
    2-propoxyethanol 49.18
    tert-butanol 11.25
    MTBE 5.79
    2-butoxyethanol 25.78
    propionic acid 32.6
    o-xylene 2.72
    formic acid 24.84
    diethyl ether 4.27
    m-xylene 2.34
    p-xylene 3.4
    chlorobenzene 7.83
    dimethyl carbonate 38.86
    n-octane 0.06
    formamide 42.55
    cyclopentanone 121.63
    2-pentanone 25.19
    anisole 10.97
    cyclopentyl methyl ether 18.04
    gamma-butyrolactone 132.34
    1-methoxy-2-propanol 68.59
    pyridine 45.1
    3-pentanone 21.57
    furfural 88.63
    n-dodecane 0.11
    diethylene glycol 54.86
    diisopropyl ether 1.21
    tert-amyl alcohol 10.22
    acetylacetone 44.4
    n-hexadecane 0.14
    acetophenone 22.49
    methyl propionate 35.69
    isopentyl acetate 15.55
    trichloroethylene 75.88
    n-nonanol 3.8
    cyclohexanol 12.32
    benzyl alcohol 19.51
    2-ethylhexanol 4.04
    isooctanol 4.08
    dipropyl ether 4.03
    1,2-dichlorobenzene 8.33
    ethyl lactate 22.07
    propylene carbonate 52.26
    n-methylformamide 60.38
    2-pentanol 4.98
    n-pentane 0.07
    1-propoxy-2-propanol 31.39
    1-methoxy-2-propyl acetate 33.53
    2-(2-methoxypropoxy) propanol 34.82
    mesitylene 1.18
    ε-caprolactone 62.35
    p-cymene 2.05
    epichlorohydrin 123.11
    1,1,1-trichloroethane 14.99
    2-aminoethanol 19.47
    morpholine-4-carbaldehyde 162.71
    sulfolane 222.09
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 35.54
    n-hexyl acetate 12.34
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 40.38
    sec-butyl acetate 11.09
    tert-butyl acetate 14.64
    decalin 0.19
    glycerin 58.86
    diglyme 66.76
    acrylic acid 46.33
    isopropyl myristate 5.79
    n-butyric acid 31.13
    acetyl acetate 16.93
    di(2-ethylhexyl) phthalate 12.06
    ethyl propionate 16.55
    nitromethane 127.97
    1,2-diethoxyethane 15.85
    benzonitrile 16.81
    trioctyl phosphate 7.84
    1-bromopropane 5.47
    gamma-valerolactone 187.07
    n-decanol 3.05
    triethyl phosphate 10.99
    4-methyl-2-pentanol 3.72
    propionitrile 14.42
    vinylene carbonate 48.03
    1,1,2-trichlorotrifluoroethane 138.42
    DMS 28.88
    cumene 1.47
    2-octanol 2.55
    2-hexanone 18.84
    octyl acetate 8.31
    limonene 2.56
    1,2-dimethoxyethane 57.83
    ethyl orthosilicate 8.93
    tributyl phosphate 9.79
    diacetone alcohol 38.53
    N,N-dimethylaniline 8.47
    acrylonitrile 28.19
    aniline 15.83
    1,3-propanediol 31.52
    bromobenzene 5.97
    dibromomethane 12.68
    1,1,2,2-tetrachloroethane 56.37
    2-methyl-cyclohexyl acetate 14.52
    tetrabutyl urea 14.65
    diisobutyl methanol 2.78
    2-phenylethanol 16.97
    styrene 2.44
    dioctyl adipate 13.47
    dimethyl sulfate 82.66
    ethyl butyrate 12.32
    methyl lactate 54.23
    butyl lactate 19.55
    diethyl carbonate 10.54
    propanediol butyl ether 26.55
    triethyl orthoformate 11.64
    p-tert-butyltoluene 1.84
    methyl 4-tert-butylbenzoate 21.31
    morpholine 66.33
    tert-butylamine 3.14
    n-dodecanol 2.36
    dimethoxymethane 76.24
    ethylene carbonate 37.49
    cyrene 50.38
    2-ethoxyethyl acetate 26.88
    2-ethylhexyl acetate 11.7
    1,2,4-trichlorobenzene 16.16
    4-methylpyridine 35.66
    dibutyl ether 3.26
    2,6-dimethyl-4-heptanol 2.78
    DEF 46.25
    dimethyl isosorbide 57.29
    tetrachloroethylene 24.59
    eugenol 24.96
    triacetin 28.6
    span 80 24.35
    1,4-butanediol 10.92
    1,1-dichloroethane 15.04
    2-methyl-1-pentanol 7.82
    methyl formate 49.17
    2-methyl-1-butanol 9.86
    n-decane 0.14
    butyronitrile 10.87
    3,7-dimethyl-1-octanol 4.12
    1-chlorooctane 1.06
    1-chlorotetradecane 0.66
    n-nonane 0.1
    undecane 0.13
    tert-butylcyclohexane 0.16
    cyclooctane 0.07
    cyclopentanol 20.45
    tetrahydropyran 19.41
    tert-amyl methyl ether 5.93
    2,5,8-trioxanonane 53.72
    1-hexene 0.61
    2-isopropoxyethanol 24.4
    2,2,2-trifluoroethanol 26.19
    methyl butyrate 24.28

    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