Gartanin

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  • Identifiers

    CAS number
    33390-42-0

    Molecular formula
    C23H24O6

    SMILES
    CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(C=CC(=C3O2)O)O)CC=C(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 48.5%
    Spicy 41.72%
    Woody 33.56%
    Fruity 29.5%
    Burnt 29.04%
    Smoky 28.37%
    Dry 27.06%
    Odorless 26.71%
    Medicinal 24.35%
    Leathery 22.52%

     

    Flavor
    Bitter 86.37%
    Cedarleaf 20.07%
    Parsley 19.72%
    Lovage 19.42%
    Nitrile 18.85%
    Broom 18.69%
    Heather 18.68%
    Odorless 18.64%
    Eugenol 18.53%
    Thymol 18.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    10.42 (weak base)

    Molecular weight
    396.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1070°C

    Melting point expt.

    • 167 °C

    Flash point

    • 259.43 ˚C est.

  • Synonyms

    • Gartanin
    • 1,3,5,8-Tetrahydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
    • 9H-Xanthen-9-one, 1,3,5,8-tetrahydroxy-2,4-bis(3-methyl-2-butenyl)-
    • 1,3,5,8-tetrahydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
    • CHEBI:5279
    • 1,3,5,8-Tetrahydroxy-2,4-diprenylxanthone
    • DTXSID20187024
    • 1,3,5,8-Tetrahydroxy-2,4-bis(3-methyl-2-butenyl)-9H-xanthen-9-one, 9CI
    • RefChem:142705
    • DTXCID30109515
    • 1,3,5,8-Tetrahydroxy-2,4-bis(3-methyl-2-butenyl)xanthone
    • 1,3,5,8-Tetrahydroxy-2,4-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
    • 33390-42-0
    • Gartinin
    • MFCD09264654
    • CHEMBL487992
    • Gartanin (Standard)
    • orb1297363
    • SCHEMBL1516414
    • SCHEMBL29808631
    • SCHEMBL30436105
    • HY-N6038R
    • HY-N6038
    • BDBM50311743
    • NSC692946
    • AKOS016009589
    • EBC-519235
    • NSC-692946
    • DA-73662
    • MS-26677
    • XG180004
    • CS-0032218
    • 390G420
    • Q27106703
    • 33390-42-0

  • Applications

    Gartanin (CAS 33390-42-0), a natural xanthone, is primarily evaluated for applications such as in cosmetics and personal care as an antioxidant and bioactive constituent; in pharmaceuticals and biomedical research as a potential lead compound for drug discovery and related biological activities; in functional foods and nutraceuticals as a natural antioxidant additive under consideration for formulations; in agriculture as a bioactive with potential effects on crops; and in industrial coatings, inks, or polymers as a stabilizer or additive to improve product longevity, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.35
    methanol 18.7
    isopropanol 19.82
    water 0.02
    ethyl acetate 25.35
    n-propanol 25.74
    acetone 44.94
    n-butanol 17.29
    acetonitrile 14.79
    DMF 209.56
    toluene 6.82
    isobutanol 17.54
    1,4-dioxane 41.28
    methyl acetate 41.87
    THF 195.4
    2-butanone 54.45
    n-pentanol 13.36
    sec-butanol 21.07
    n-hexane 0.39
    ethylene glycol 13.75
    NMP 291.19
    cyclohexane 0.54
    DMSO 246.13
    n-butyl acetate 22.5
    n-octanol 4.14
    chloroform 36.66
    n-propyl acetate 21.58
    acetic acid 73.26
    dichloromethane 32.8
    cyclohexanone 69.33
    propylene glycol 34.91
    isopropyl acetate 19.3
    DMAc 278.01
    2-ethoxyethanol 45.18
    isopentanol 14.67
    n-heptane 0.34
    ethyl formate 18.48
    1,2-dichloroethane 27.13
    n-hexanol 12.0
    2-methoxyethanol 102.58
    isobutyl acetate 14.17
    tetrachloromethane 3.39
    n-pentyl acetate 15.87
    transcutol 101.37
    n-heptanol 7.41
    ethylbenzene 3.61
    MIBK 19.22
    2-propoxyethanol 66.51
    tert-butanol 24.26
    MTBE 12.72
    2-butoxyethanol 34.58
    propionic acid 44.58
    o-xylene 4.66
    formic acid 25.56
    diethyl ether 9.17
    m-xylene 4.4
    p-xylene 5.38
    chlorobenzene 9.76
    dimethyl carbonate 39.86
    n-octane 0.18
    formamide 46.19
    cyclopentanone 143.12
    2-pentanone 33.96
    anisole 13.95
    cyclopentyl methyl ether 35.3
    gamma-butyrolactone 173.23
    1-methoxy-2-propanol 93.65
    pyridine 51.43
    3-pentanone 25.37
    furfural 88.26
    n-dodecane 0.18
    diethylene glycol 58.41
    diisopropyl ether 2.79
    tert-amyl alcohol 23.52
    acetylacetone 46.54
    n-hexadecane 0.21
    acetophenone 26.19
    methyl propionate 46.81
    isopentyl acetate 22.37
    trichloroethylene 75.94
    n-nonanol 4.79
    cyclohexanol 19.13
    benzyl alcohol 20.67
    2-ethylhexanol 7.07
    isooctanol 6.77
    dipropyl ether 8.52
    1,2-dichlorobenzene 10.05
    ethyl lactate 25.49
    propylene carbonate 66.94
    n-methylformamide 67.78
    2-pentanol 11.28
    n-pentane 0.37
    1-propoxy-2-propanol 42.12
    1-methoxy-2-propyl acetate 46.19
    2-(2-methoxypropoxy) propanol 36.92
    mesitylene 2.16
    ε-caprolactone 71.24
    p-cymene 3.31
    epichlorohydrin 159.11
    1,1,1-trichloroethane 19.73
    2-aminoethanol 28.67
    morpholine-4-carbaldehyde 176.96
    sulfolane 297.66
    2,2,4-trimethylpentane 0.43
    2-methyltetrahydrofuran 59.35
    n-hexyl acetate 14.94
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 45.85
    sec-butyl acetate 15.64
    tert-butyl acetate 24.91
    decalin 0.47
    glycerin 64.07
    diglyme 72.67
    acrylic acid 51.13
    isopropyl myristate 6.09
    n-butyric acid 42.42
    acetyl acetate 18.77
    di(2-ethylhexyl) phthalate 11.58
    ethyl propionate 21.39
    nitromethane 117.07
    1,2-diethoxyethane 19.61
    benzonitrile 15.52
    trioctyl phosphate 7.98
    1-bromopropane 10.43
    gamma-valerolactone 192.79
    n-decanol 3.69
    triethyl phosphate 12.86
    4-methyl-2-pentanol 7.29
    propionitrile 18.39
    vinylene carbonate 51.8
    1,1,2-trichlorotrifluoroethane 136.5
    DMS 32.4
    cumene 2.71
    2-octanol 4.42
    2-hexanone 22.89
    octyl acetate 9.1
    limonene 4.44
    1,2-dimethoxyethane 58.94
    ethyl orthosilicate 11.45
    tributyl phosphate 9.83
    diacetone alcohol 57.25
    N,N-dimethylaniline 12.8
    acrylonitrile 29.31
    aniline 21.37
    1,3-propanediol 37.19
    bromobenzene 7.58
    dibromomethane 17.08
    1,1,2,2-tetrachloroethane 61.26
    2-methyl-cyclohexyl acetate 17.44
    tetrabutyl urea 14.81
    diisobutyl methanol 4.93
    2-phenylethanol 21.5
    styrene 4.3
    dioctyl adipate 13.45
    dimethyl sulfate 96.26
    ethyl butyrate 16.42
    methyl lactate 60.62
    butyl lactate 23.44
    diethyl carbonate 12.23
    propanediol butyl ether 30.68
    triethyl orthoformate 15.17
    p-tert-butyltoluene 3.3
    methyl 4-tert-butylbenzoate 27.5
    morpholine 82.98
    tert-butylamine 8.25
    n-dodecanol 2.69
    dimethoxymethane 86.35
    ethylene carbonate 39.06
    cyrene 57.16
    2-ethoxyethyl acetate 31.08
    2-ethylhexyl acetate 16.41
    1,2,4-trichlorobenzene 19.26
    4-methylpyridine 41.93
    dibutyl ether 4.21
    2,6-dimethyl-4-heptanol 4.93
    DEF 55.54
    dimethyl isosorbide 74.6
    tetrachloroethylene 27.66
    eugenol 28.48
    triacetin 27.29
    span 80 29.27
    1,4-butanediol 12.5
    1,1-dichloroethane 20.38
    2-methyl-1-pentanol 13.05
    methyl formate 45.54
    2-methyl-1-butanol 16.05
    n-decane 0.27
    butyronitrile 13.86
    3,7-dimethyl-1-octanol 5.6
    1-chlorooctane 1.57
    1-chlorotetradecane 0.81
    n-nonane 0.22
    undecane 0.22
    tert-butylcyclohexane 0.42
    cyclooctane 0.19
    cyclopentanol 37.21
    tetrahydropyran 29.9
    tert-amyl methyl ether 12.63
    2,5,8-trioxanonane 53.78
    1-hexene 2.18
    2-isopropoxyethanol 30.23
    2,2,2-trifluoroethanol 28.41
    methyl butyrate 30.28

    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