Dulciol A

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  • Identifiers

    CAS number
    175617-23-9

    Molecular formula
    C28H32O6

    SMILES
    CC(=CCC/C(=C/CC1=C2C(=C(C(=C1O)O)CC=C(C)C)C(=O)C3=C(C=C(C=C3O2)O)O)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 42.27%
    Spicy 34.75%
    Phenolic 32.53%
    Woody 31.44%
    Odorless 29.3%
    Dry 25.35%
    Burnt 24.47%
    Balsamic 21.12%
    Animal 20.5%
    Smoky 19.44%

     

    Flavor
    Bitter 72.34%
    Woody 20.1%
    Parsley 19.88%
    Cedarleaf 19.68%
    Lovage 19.52%
    Oriental 19.31%
    Diterpene 19.18%
    Heather 19.12%
    Broom 19.01%
    Nitrile 18.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    11.08 (strong base)

    Molecular weight
    464.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1561°C

    Flash point

    • 268.67 ˚C est.

  • Synonyms

    • Dulciol A
    • 4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,3,6,8-tetrahydroxy-1-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
    • 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
    • CHEBI:196404
    • DTXSID001111886
    • 175617-23-9
    • 4-Geranyl-2,3,6,8-tetrahydroxy-1-prenylxanthone
    • 4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,3,6,8-tetrahydroxy-1-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
    • 9H-xanthen-9-one, 4-[(2E)-3,7-dimethyl-2,6-octadienyl]-2,3,6,8-tetrahydroxy-1-(3-methyl-2-butenyl)-
    • InChI=1/C28H32O6/c1-15(2)7-6-8-17(5)10-12-20-26(32)25(31)19(11-9-16(3)4)23-27(33)24-21(30)13-18(29)14-22(24)34-28(20)23/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10
    • 175617-23-9

  • Applications

    Dulciol A (CAS 175617-23-9) is used as an organic synthesis intermediate and may serve as a solvent or processing aid in industrial production; it may also function as a plasticizer or additive for polymers and plastics; in coating and ink formulations, Dulciol A can act as a solvent or surface-treatment agent; in adhesive formulations and industrial cleaning products, it can serve as a solvent or processing adjunct to adjust volatility and flow; practical applications depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.25
    methanol 16.75
    isopropanol 12.16
    water 0.01
    ethyl acetate 21.07
    n-propanol 21.18
    acetone 24.55
    n-butanol 13.58
    acetonitrile 6.72
    DMF 139.39
    toluene 6.42
    isobutanol 13.12
    1,4-dioxane 31.54
    methyl acetate 31.83
    THF 116.03
    2-butanone 41.61
    n-pentanol 12.82
    sec-butanol 17.69
    n-hexane 0.29
    ethylene glycol 6.51
    NMP 236.13
    cyclohexane 0.33
    DMSO 127.38
    n-butyl acetate 16.98
    n-octanol 3.63
    chloroform 54.93
    n-propyl acetate 16.95
    acetic acid 69.86
    dichloromethane 44.71
    cyclohexanone 54.13
    propylene glycol 26.57
    isopropyl acetate 14.03
    DMAc 224.92
    2-ethoxyethanol 39.53
    isopentanol 10.48
    n-heptane 0.23
    ethyl formate 14.54
    1,2-dichloroethane 23.27
    n-hexanol 8.78
    2-methoxyethanol 77.39
    isobutyl acetate 10.48
    tetrachloromethane 3.56
    n-pentyl acetate 14.65
    transcutol 105.67
    n-heptanol 6.3
    ethylbenzene 3.0
    MIBK 13.76
    2-propoxyethanol 54.7
    tert-butanol 13.37
    MTBE 9.24
    2-butoxyethanol 30.25
    propionic acid 42.9
    o-xylene 4.1
    formic acid 21.91
    diethyl ether 7.48
    m-xylene 3.79
    p-xylene 4.22
    chlorobenzene 9.66
    dimethyl carbonate 30.98
    n-octane 0.11
    formamide 30.72
    cyclopentanone 92.54
    2-pentanone 24.49
    anisole 12.75
    cyclopentyl methyl ether 24.19
    gamma-butyrolactone 119.63
    1-methoxy-2-propanol 76.53
    pyridine 41.99
    3-pentanone 20.18
    furfural 73.11
    n-dodecane 0.09
    diethylene glycol 37.64
    diisopropyl ether 1.8
    tert-amyl alcohol 16.61
    acetylacetone 36.21
    n-hexadecane 0.11
    acetophenone 22.56
    methyl propionate 38.09
    isopentyl acetate 15.93
    trichloroethylene 86.61
    n-nonanol 3.96
    cyclohexanol 14.3
    benzyl alcohol 18.88
    2-ethylhexanol 5.21
    isooctanol 5.43
    dipropyl ether 6.06
    1,2-dichlorobenzene 9.99
    ethyl lactate 22.4
    propylene carbonate 50.27
    n-methylformamide 48.17
    2-pentanol 9.41
    n-pentane 0.28
    1-propoxy-2-propanol 38.04
    1-methoxy-2-propyl acetate 37.9
    2-(2-methoxypropoxy) propanol 34.56
    mesitylene 1.64
    ε-caprolactone 62.87
    p-cymene 2.25
    epichlorohydrin 123.82
    1,1,1-trichloroethane 16.68
    2-aminoethanol 20.35
    morpholine-4-carbaldehyde 147.16
    sulfolane 217.34
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 39.72
    n-hexyl acetate 13.42
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 39.79
    sec-butyl acetate 12.05
    tert-butyl acetate 16.39
    decalin 0.31
    glycerin 48.78
    diglyme 63.81
    acrylic acid 49.52
    isopropyl myristate 4.15
    n-butyric acid 40.74
    acetyl acetate 16.55
    di(2-ethylhexyl) phthalate 9.22
    ethyl propionate 16.4
    nitromethane 88.76
    1,2-diethoxyethane 16.77
    benzonitrile 11.09
    trioctyl phosphate 5.85
    1-bromopropane 8.69
    gamma-valerolactone 162.68
    n-decanol 2.6
    triethyl phosphate 10.26
    4-methyl-2-pentanol 5.01
    propionitrile 10.13
    vinylene carbonate 44.33
    1,1,2-trichlorotrifluoroethane 141.25
    DMS 27.47
    cumene 2.1
    2-octanol 3.57
    2-hexanone 18.24
    octyl acetate 6.93
    limonene 3.27
    1,2-dimethoxyethane 43.53
    ethyl orthosilicate 9.11
    tributyl phosphate 6.96
    diacetone alcohol 41.52
    N,N-dimethylaniline 10.51
    acrylonitrile 16.96
    aniline 19.05
    1,3-propanediol 27.93
    bromobenzene 7.92
    dibromomethane 19.44
    1,1,2,2-tetrachloroethane 68.92
    2-methyl-cyclohexyl acetate 14.21
    tetrabutyl urea 10.36
    diisobutyl methanol 3.19
    2-phenylethanol 17.13
    styrene 3.67
    dioctyl adipate 10.67
    dimethyl sulfate 80.18
    ethyl butyrate 13.1
    methyl lactate 50.73
    butyl lactate 24.41
    diethyl carbonate 9.46
    propanediol butyl ether 30.93
    triethyl orthoformate 12.72
    p-tert-butyltoluene 2.34
    methyl 4-tert-butylbenzoate 26.18
    morpholine 62.22
    tert-butylamine 4.54
    n-dodecanol 1.73
    dimethoxymethane 60.26
    ethylene carbonate 29.76
    cyrene 52.11
    2-ethoxyethyl acetate 31.32
    2-ethylhexyl acetate 11.84
    1,2,4-trichlorobenzene 20.65
    4-methylpyridine 33.54
    dibutyl ether 3.27
    2,6-dimethyl-4-heptanol 3.19
    DEF 43.78
    dimethyl isosorbide 62.06
    tetrachloroethylene 32.1
    eugenol 28.39
    triacetin 29.51
    span 80 29.48
    1,4-butanediol 9.92
    1,1-dichloroethane 18.31
    2-methyl-1-pentanol 11.54
    methyl formate 31.47
    2-methyl-1-butanol 14.56
    n-decane 0.17
    butyronitrile 7.51
    3,7-dimethyl-1-octanol 4.14
    1-chlorooctane 1.27
    1-chlorotetradecane 0.45
    n-nonane 0.15
    undecane 0.12
    tert-butylcyclohexane 0.28
    cyclooctane 0.12
    cyclopentanol 24.4
    tetrahydropyran 22.09
    tert-amyl methyl ether 10.58
    2,5,8-trioxanonane 43.08
    1-hexene 1.75
    2-isopropoxyethanol 25.65
    2,2,2-trifluoroethanol 23.75
    methyl butyrate 22.45

    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