Glabrol

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  • Identifiers

    CAS number
    59870-65-4

    Molecular formula
    C25H28O4

    SMILES
    CC(=CCC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 55.53%
    Sweet 43.42%
    Phenolic 41.3%
    Herbal 37.15%
    Woody 30.89%
    Fruity 27.38%
    Warm 26.45%
    Balsamic 25.84%
    Smoky 24.71%
    Mint 24.08%

     

    Flavor
    Bitter 78.92%
    Herbal 21.91%
    Lovage 20.19%
    Parsley 19.58%
    Cedarleaf 19.41%
    Basil 18.65%
    Heather 18.1%
    Outdoor 18.09%
    Spicy 18.03%
    Leaves 18.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    9.36 (weak base)

    Molecular weight
    392.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    810°C

    Flash point

    • 208.49 ˚C est.

  • Synonyms

    • Glabrol
    • 59870-65-4
    • E4XEY076JN
    • (2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    • (2S)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    • RefChem:37887
    • 7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    • (S)-7-Hydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-8-(3-methylbut-2-en-1-yl)chroman-4-one
    • MLS000697605
    • SMR000470942
    • UNII-E4XEY076JN
    • 7-Hydroxy-2-(4-hydroxy-3-((E)-3-methyl-but-2-enyl)-phenyl)-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one
    • CHEMBL462721
    • orb1297359
    • SCHEMBL15602627
    • BDBM69609
    • CHEBI:177851
    • cid_11596309
    • HMS2271C14
    • 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-7-HYDROXY-2-(4-HYDROXY-3-(3-METHYL-2-BUTEN-1-YL)PHENYL)-8-(3-METHYL-2-BUTEN-1-YL)-, (2S)-
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxy-3-(methyl-2-butenyl)phenyl)-8-(3-methyl-2-butenyl)-, (2S)-
    • HY-N4193
    • AKOS030553566
    • EBC-615820
    • NCGC00247523-01
    • (2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
    • MS-26568
    • CS-0032386
    • G13413
    • Q27276872
    • (2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one
    • (2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chroman-4-one
    • (2S)-8-(3-methylbut-2-enyl)-2-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-7-oxidanyl-2,3-dihydrochromen-4-one
    • 59870-65-4

  • Applications

    Glabrol (CAS 59870-65-4) may be used as a chemical synthesis intermediate and may serve as a specialty solvent in various manufacturing processes; in cosmetics and personal care, it is evaluated as an aroma ingredient or odor fixative; in coatings and inks, it can act as a processing aid or solvent for polymer and coating systems; in cleaning formulations, it may appear as a solvent or formulation component; potential applications in plastics and polymer formulations may be explored, subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.64
    methanol 15.56
    isopropanol 9.61
    water 0.02
    ethyl acetate 48.97
    n-propanol 13.21
    acetone 54.01
    n-butanol 11.23
    acetonitrile 21.64
    DMF 87.24
    toluene 20.55
    isobutanol 9.76
    1,4-dioxane 112.58
    methyl acetate 57.77
    THF 259.32
    2-butanone 64.1
    n-pentanol 13.32
    sec-butanol 11.6
    n-hexane 0.49
    ethylene glycol 2.41
    NMP 77.67
    cyclohexane 0.75
    DMSO 96.91
    n-butyl acetate 33.22
    n-octanol 12.86
    chloroform 212.35
    n-propyl acetate 35.16
    acetic acid 50.29
    dichloromethane 151.57
    cyclohexanone 72.36
    propylene glycol 8.68
    isopropyl acetate 34.21
    DMAc 209.63
    2-ethoxyethanol 50.71
    isopentanol 13.07
    n-heptane 0.75
    ethyl formate 19.57
    1,2-dichloroethane 75.22
    n-hexanol 12.58
    2-methoxyethanol 62.58
    isobutyl acetate 26.5
    tetrachloromethane 8.38
    n-pentyl acetate 34.8
    transcutol 329.84
    n-heptanol 13.33
    ethylbenzene 11.02
    MIBK 31.19
    2-propoxyethanol 72.11
    tert-butanol 18.58
    MTBE 26.34
    2-butoxyethanol 49.7
    propionic acid 26.06
    o-xylene 12.01
    formic acid 12.64
    diethyl ether 21.13
    m-xylene 13.13
    p-xylene 15.8
    chlorobenzene 37.6
    dimethyl carbonate 45.47
    n-octane 0.52
    formamide 28.96
    cyclopentanone 112.05
    2-pentanone 40.93
    anisole 45.3
    cyclopentyl methyl ether 47.12
    gamma-butyrolactone 116.81
    1-methoxy-2-propanol 63.74
    pyridine 81.56
    3-pentanone 40.1
    furfural 92.89
    n-dodecane 0.72
    diethylene glycol 38.54
    diisopropyl ether 6.59
    tert-amyl alcohol 17.06
    acetylacetone 82.54
    n-hexadecane 0.87
    acetophenone 44.55
    methyl propionate 54.36
    isopentyl acetate 37.46
    trichloroethylene 250.48
    n-nonanol 15.13
    cyclohexanol 12.51
    benzyl alcohol 29.04
    2-ethylhexanol 10.69
    isooctanol 13.5
    dipropyl ether 21.4
    1,2-dichlorobenzene 39.36
    ethyl lactate 24.37
    propylene carbonate 51.64
    n-methylformamide 28.77
    2-pentanol 8.8
    n-pentane 0.4
    1-propoxy-2-propanol 52.43
    1-methoxy-2-propyl acetate 72.77
    2-(2-methoxypropoxy) propanol 73.18
    mesitylene 7.6
    ε-caprolactone 69.96
    p-cymene 8.33
    epichlorohydrin 213.69
    1,1,1-trichloroethane 64.11
    2-aminoethanol 8.07
    morpholine-4-carbaldehyde 146.63
    sulfolane 123.07
    2,2,4-trimethylpentane 0.7
    2-methyltetrahydrofuran 67.22
    n-hexyl acetate 41.42
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 93.47
    sec-butyl acetate 26.79
    tert-butyl acetate 48.27
    decalin 1.15
    glycerin 16.42
    diglyme 196.48
    acrylic acid 27.19
    isopropyl myristate 19.61
    n-butyric acid 34.12
    acetyl acetate 47.98
    di(2-ethylhexyl) phthalate 24.94
    ethyl propionate 36.54
    nitromethane 132.55
    1,2-diethoxyethane 83.28
    benzonitrile 25.67
    trioctyl phosphate 14.97
    1-bromopropane 21.53
    gamma-valerolactone 191.46
    n-decanol 10.86
    triethyl phosphate 21.17
    4-methyl-2-pentanol 9.02
    propionitrile 20.09
    vinylene carbonate 53.23
    1,1,2-trichlorotrifluoroethane 116.46
    DMS 52.87
    cumene 7.97
    2-octanol 9.05
    2-hexanone 37.32
    octyl acetate 24.38
    limonene 9.22
    1,2-dimethoxyethane 118.1
    ethyl orthosilicate 21.89
    tributyl phosphate 18.71
    diacetone alcohol 55.82
    N,N-dimethylaniline 29.68
    acrylonitrile 30.62
    aniline 26.36
    1,3-propanediol 15.13
    bromobenzene 41.93
    dibromomethane 64.73
    1,1,2,2-tetrachloroethane 171.3
    2-methyl-cyclohexyl acetate 32.26
    tetrabutyl urea 26.29
    diisobutyl methanol 9.73
    2-phenylethanol 31.88
    styrene 14.51
    dioctyl adipate 35.58
    dimethyl sulfate 65.17
    ethyl butyrate 29.35
    methyl lactate 34.36
    butyl lactate 31.37
    diethyl carbonate 22.97
    propanediol butyl ether 42.91
    triethyl orthoformate 30.82
    p-tert-butyltoluene 8.55
    methyl 4-tert-butylbenzoate 56.64
    morpholine 117.21
    tert-butylamine 7.32
    n-dodecanol 7.67
    dimethoxymethane 108.54
    ethylene carbonate 41.86
    cyrene 67.59
    2-ethoxyethyl acetate 74.9
    2-ethylhexyl acetate 28.23
    1,2,4-trichlorobenzene 56.98
    4-methylpyridine 59.04
    dibutyl ether 21.61
    2,6-dimethyl-4-heptanol 9.73
    DEF 52.11
    dimethyl isosorbide 139.44
    tetrachloroethylene 76.0
    eugenol 50.51
    triacetin 74.89
    span 80 49.86
    1,4-butanediol 7.09
    1,1-dichloroethane 61.86
    2-methyl-1-pentanol 15.94
    methyl formate 27.68
    2-methyl-1-butanol 11.89
    n-decane 1.3
    butyronitrile 14.73
    3,7-dimethyl-1-octanol 15.37
    1-chlorooctane 8.01
    1-chlorotetradecane 3.41
    n-nonane 0.99
    undecane 0.94
    tert-butylcyclohexane 1.2
    cyclooctane 0.39
    cyclopentanol 16.39
    tetrahydropyran 56.55
    tert-amyl methyl ether 20.95
    2,5,8-trioxanonane 141.97
    1-hexene 3.11
    2-isopropoxyethanol 41.3
    2,2,2-trifluoroethanol 16.7
    methyl butyrate 41.53

    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