Artonol B

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  • Identifiers

    CAS number
    186824-58-8

    Molecular formula
    C24H20O7

    SMILES
    CC(=O)C1=C2C(=CC3=C1C(=O)OC3(C)C)C(=O)C4=C(O2)C5=C(C=C4O)OC(C=C5)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 45.44%
    Fruity 37.38%
    Powdery 35.81%
    Floral 35.22%
    Woody 33.14%
    Phenolic 32.42%
    Dry 30.02%
    Musk 28.29%
    Tobacco 27.9%
    Herbal 25.09%

     

    Flavor
    Bitter 89.22%
    Odorless 20.41%
    Cedarleaf 19.93%
    Parsley 19.63%
    Red fruit 19.45%
    Ripe apricot 19.41%
    Lovage 19.15%
    Bland 18.99%
    Very strong 18.38%
    Sweet-like 18.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.39 (neutral)

    Molecular weight
    420.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1044°C

    Melting point expt.

    • 267 - 273 °C

    Flash point

    • 256.63 ˚C est.

  • Synonyms

    • artonol B
    • 186824-58-8
    • 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.0^{3,11}.0^{5,9}.0^{14,19}]henicosa-1(21),3,5(9),10,13,15,19-heptaene-2,8-dione
    • 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14(19),15,20-heptaene-2,8-dione
    • 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo(11.8.0.0^(3,11).0^(5,9).0^(14,19))henicosa-1(21),3,5(9),10,13,15,19-heptaene-2,8-dione
    • 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo(11.8.0.03,11.05,9.014,19)henicosa-1(13),3,5(9),10,14(19),15,20-heptaene-2,8-dione
    • 12-Acetyl-6-hydroxy-3,3,9,9-tetramethylfuro(3,4-b)pyrano(3,2-h)xanthene-7,11(3H,9H)-dione
    • 12-acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-b]pyrano[3,2-h]xanthene-7,11(3h,9h)-dione
    • RefChem:114368
    • SCHEMBL15144871
    • CHEBI:172660
    • DTXSID301318708
    • acetyl-hydroxy-tetramethyl-[?]dione
    • 12-Acetyl-6-hydroxy-3,3,9,9-tetramethyl-3H,7H-furo[3,4-b]pyrano[3,2-h]xanthene-7,11(9H)-dione
    • 12-Acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-b]pyrano[3,2- h]xanthene-7,11(3H,9H)-dione
    • 3H,7H-Furo[3,4-b]pyrano[3,2-h]xanthene-7,11(9H)-dione, 12-acetyl-6-hydroxy-3,3,9,9-tetramethyl-
    • 186824-58-8

  • Applications

    Artonol B (CAS 186824-58-8) is commonly evaluated as an intermediate in fragrance chemistry and is used as a fragrance ingredient/odorant in perfumery and cosmetics. It can be incorporated in household products such as air fresheners and cleaners to impart scent, and is sometimes considered for use in coatings or inks as a fragrance additive. It may also appear as an intermediate or additive in industrial formulations related to fragrance manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.67
    methanol 0.86
    isopropanol 0.37
    water 0.0
    ethyl acetate 4.62
    n-propanol 0.75
    acetone 6.16
    n-butanol 0.49
    acetonitrile 5.48
    DMF 35.41
    toluene 1.23
    isobutanol 0.54
    1,4-dioxane 16.07
    methyl acetate 9.08
    THF 25.04
    2-butanone 6.8
    n-pentanol 0.66
    sec-butanol 0.39
    n-hexane 0.02
    ethylene glycol 0.89
    NMP 86.1
    cyclohexane 0.04
    DMSO 35.72
    n-butyl acetate 5.5
    n-octanol 0.79
    chloroform 18.96
    n-propyl acetate 6.29
    acetic acid 8.78
    dichloromethane 16.76
    cyclohexanone 15.57
    propylene glycol 0.86
    isopropyl acetate 2.86
    DMAc 58.29
    2-ethoxyethanol 5.25
    isopentanol 0.5
    n-heptane 0.02
    ethyl formate 4.69
    1,2-dichloroethane 7.91
    n-hexanol 0.42
    2-methoxyethanol 8.41
    isobutyl acetate 4.8
    tetrachloromethane 0.67
    n-pentyl acetate 4.21
    transcutol 17.36
    n-heptanol 0.64
    ethylbenzene 0.75
    MIBK 2.28
    2-propoxyethanol 10.65
    tert-butanol 0.49
    MTBE 0.59
    2-butoxyethanol 5.9
    propionic acid 4.22
    o-xylene 0.77
    formic acid 4.58
    diethyl ether 0.67
    m-xylene 0.72
    p-xylene 1.58
    chlorobenzene 3.41
    dimethyl carbonate 10.63
    n-octane 0.02
    formamide 8.33
    cyclopentanone 31.61
    2-pentanone 3.11
    anisole 4.08
    cyclopentyl methyl ether 3.94
    gamma-butyrolactone 52.79
    1-methoxy-2-propanol 4.99
    pyridine 18.82
    3-pentanone 3.38
    furfural 38.54
    n-dodecane 0.04
    diethylene glycol 11.18
    diisopropyl ether 0.2
    tert-amyl alcohol 0.51
    acetylacetone 10.61
    n-hexadecane 0.05
    acetophenone 8.94
    methyl propionate 7.45
    isopentyl acetate 5.72
    trichloroethylene 33.91
    n-nonanol 0.98
    cyclohexanol 0.88
    benzyl alcohol 3.8
    2-ethylhexanol 0.53
    isooctanol 0.7
    dipropyl ether 1.1
    1,2-dichlorobenzene 4.52
    ethyl lactate 5.49
    propylene carbonate 18.64
    n-methylformamide 11.48
    2-pentanol 0.22
    n-pentane 0.01
    1-propoxy-2-propanol 5.94
    1-methoxy-2-propyl acetate 12.09
    2-(2-methoxypropoxy) propanol 10.81
    mesitylene 0.39
    ε-caprolactone 17.22
    p-cymene 0.69
    epichlorohydrin 44.19
    1,1,1-trichloroethane 5.58
    2-aminoethanol 1.27
    morpholine-4-carbaldehyde 65.45
    sulfolane 77.02
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 7.91
    n-hexyl acetate 4.96
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.5
    sec-butyl acetate 3.45
    tert-butyl acetate 3.44
    decalin 0.08
    glycerin 3.54
    diglyme 22.08
    acrylic acid 7.54
    isopropyl myristate 2.33
    n-butyric acid 3.24
    acetyl acetate 6.15
    di(2-ethylhexyl) phthalate 4.89
    ethyl propionate 5.63
    nitromethane 44.12
    1,2-diethoxyethane 5.09
    benzonitrile 8.15
    trioctyl phosphate 2.67
    1-bromopropane 1.48
    gamma-valerolactone 65.39
    n-decanol 0.75
    triethyl phosphate 4.8
    4-methyl-2-pentanol 0.25
    propionitrile 3.64
    vinylene carbonate 21.12
    1,1,2-trichlorotrifluoroethane 40.4
    DMS 13.65
    cumene 0.56
    2-octanol 0.44
    2-hexanone 4.84
    octyl acetate 3.16
    limonene 0.66
    1,2-dimethoxyethane 15.82
    ethyl orthosilicate 3.51
    tributyl phosphate 3.65
    diacetone alcohol 5.1
    N,N-dimethylaniline 2.99
    acrylonitrile 9.6
    aniline 2.64
    1,3-propanediol 1.72
    bromobenzene 3.58
    dibromomethane 5.87
    1,1,2,2-tetrachloroethane 22.46
    2-methyl-cyclohexyl acetate 6.87
    tetrabutyl urea 6.42
    diisobutyl methanol 0.45
    2-phenylethanol 4.45
    styrene 1.0
    dioctyl adipate 5.83
    dimethyl sulfate 28.3
    ethyl butyrate 4.94
    methyl lactate 8.02
    butyl lactate 4.92
    diethyl carbonate 4.92
    propanediol butyl ether 4.69
    triethyl orthoformate 4.9
    p-tert-butyltoluene 0.57
    methyl 4-tert-butylbenzoate 8.4
    morpholine 16.46
    tert-butylamine 0.16
    n-dodecanol 0.58
    dimethoxymethane 12.87
    ethylene carbonate 14.38
    cyrene 22.11
    2-ethoxyethyl acetate 10.05
    2-ethylhexyl acetate 4.83
    1,2,4-trichlorobenzene 9.34
    4-methylpyridine 11.93
    dibutyl ether 1.19
    2,6-dimethyl-4-heptanol 0.45
    DEF 8.43
    dimethyl isosorbide 31.27
    tetrachloroethylene 8.67
    eugenol 9.51
    triacetin 12.52
    span 80 6.97
    1,4-butanediol 0.98
    1,1-dichloroethane 4.22
    2-methyl-1-pentanol 0.7
    methyl formate 12.9
    2-methyl-1-butanol 0.52
    n-decane 0.05
    butyronitrile 2.17
    3,7-dimethyl-1-octanol 0.9
    1-chlorooctane 0.42
    1-chlorotetradecane 0.24
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 1.91
    tetrahydropyran 4.22
    tert-amyl methyl ether 0.67
    2,5,8-trioxanonane 18.29
    1-hexene 0.19
    2-isopropoxyethanol 3.85
    2,2,2-trifluoroethanol 5.12
    methyl butyrate 7.83

    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