Dolicholide

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  • Identifiers

    CAS number
    85228-11-1

    Molecular formula
    C28H46O6

    SMILES
    C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H](C(=C)C(C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 55.03%
    Odorless 49.86%
    Cooling 40.89%
    Mint 39.16%
    Spicy 30.02%
    Amber 28.2%
    Balsamic 27.44%
    Dry 25.2%
    Cedar 24.96%
    Camphoreous 24.82%

     

    Flavor
    Bitter 63.31%
    Odorless 27.73%
    Cedarleaf 23.09%
    Bland 23.0%
    Sweet-like 22.75%
    Green tea 20.24%
    Mentholic 20.09%
    Sandalwood 19.86%
    Ripe apricot 19.72%
    Leaves 19.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    5.7 (weak acid)

    Molecular weight
    478.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    215°C

    Flash point

    • 234.31 ˚C est.

  • Synonyms

    • Dolicholide
    • 85228-11-1
    • SCHEMBL29445873
    • CHEBI:166786
    • DTXSID601318264
    • (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R)-3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
    • (22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-homo-7-oxa-5alpha-ergost-24(28)-en-6-one
    • (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R)-3,4-Dihydroxy-6-methyl-5-methylideneheptan-2-yl]-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
    • 15-(2,3-dihydroxy-1,5-dimethyl-4-methylene-hexyl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
    • 85228-11-1

  • Applications

    Dolicholide (CAS 85228-11-1) is evaluated for use as a fragrance ingredient and odorant or fixative in perfumery, and may be incorporated into cosmetics and personal care products for scent performance; it can serve as a specialty intermediate or processing aid in polymer and plastic formulations, and may be used in coatings or inks as an additive to influence aroma or formulation stability; in industrial manufacturing, it is often considered as an intermediate in organic syntheses or as a niche additive in specific formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 63.18
    methanol 231.85
    isopropanol 9.54
    water 0.73
    ethyl acetate 11.66
    n-propanol 19.19
    acetone 62.28
    n-butanol 7.19
    acetonitrile 3.77
    DMF 166.57
    toluene 6.62
    isobutanol 7.22
    1,4-dioxane 101.02
    methyl acetate 11.8
    THF 609.58
    2-butanone 19.1
    n-pentanol 9.16
    sec-butanol 3.95
    n-hexane 0.38
    ethylene glycol 23.91
    NMP 122.52
    cyclohexane 0.65
    DMSO 532.03
    n-butyl acetate 10.51
    n-octanol 6.71
    chloroform 12.01
    n-propyl acetate 8.81
    acetic acid 99.86
    dichloromethane 12.79
    cyclohexanone 41.56
    propylene glycol 18.14
    isopropyl acetate 10.41
    DMAc 94.51
    2-ethoxyethanol 71.65
    isopentanol 5.32
    n-heptane 0.44
    ethyl formate 13.25
    1,2-dichloroethane 9.72
    n-hexanol 11.69
    2-methoxyethanol 136.65
    isobutyl acetate 7.2
    tetrachloromethane 3.1
    n-pentyl acetate 15.24
    transcutol 105.14
    n-heptanol 10.66
    ethylbenzene 3.07
    MIBK 11.6
    2-propoxyethanol 88.03
    tert-butanol 6.5
    MTBE 4.75
    2-butoxyethanol 51.25
    propionic acid 17.62
    o-xylene 3.93
    formic acid 93.81
    diethyl ether 9.62
    m-xylene 4.81
    p-xylene 3.62
    chlorobenzene 6.53
    dimethyl carbonate 20.92
    n-octane 0.22
    formamide 79.64
    cyclopentanone 118.28
    2-pentanone 15.68
    anisole 11.59
    cyclopentyl methyl ether 33.92
    gamma-butyrolactone 119.91
    1-methoxy-2-propanol 61.77
    pyridine 39.19
    3-pentanone 10.64
    furfural 69.87
    n-dodecane 0.13
    diethylene glycol 87.87
    diisopropyl ether 2.29
    tert-amyl alcohol 3.46
    acetylacetone 42.36
    n-hexadecane 0.16
    acetophenone 15.19
    methyl propionate 15.35
    isopentyl acetate 10.76
    trichloroethylene 19.67
    n-nonanol 7.06
    cyclohexanol 5.97
    benzyl alcohol 17.07
    2-ethylhexanol 4.53
    isooctanol 7.91
    dipropyl ether 6.74
    1,2-dichlorobenzene 5.73
    ethyl lactate 11.56
    propylene carbonate 29.98
    n-methylformamide 68.71
    2-pentanol 2.95
    n-pentane 0.36
    1-propoxy-2-propanol 37.09
    1-methoxy-2-propyl acetate 29.37
    2-(2-methoxypropoxy) propanol 27.38
    mesitylene 2.71
    ε-caprolactone 36.23
    p-cymene 2.67
    epichlorohydrin 103.0
    1,1,1-trichloroethane 4.92
    2-aminoethanol 45.93
    morpholine-4-carbaldehyde 146.16
    sulfolane 170.54
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 46.82
    n-hexyl acetate 15.19
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 50.89
    sec-butyl acetate 5.63
    tert-butyl acetate 13.56
    decalin 0.44
    glycerin 47.64
    diglyme 88.74
    acrylic acid 27.88
    isopropyl myristate 4.21
    n-butyric acid 19.16
    acetyl acetate 14.66
    di(2-ethylhexyl) phthalate 10.05
    ethyl propionate 7.05
    nitromethane 79.22
    1,2-diethoxyethane 19.56
    benzonitrile 8.58
    trioctyl phosphate 6.9
    1-bromopropane 3.14
    gamma-valerolactone 181.75
    n-decanol 3.96
    triethyl phosphate 5.87
    4-methyl-2-pentanol 3.0
    propionitrile 3.96
    vinylene carbonate 30.37
    1,1,2-trichlorotrifluoroethane 65.79
    DMS 15.46
    cumene 2.25
    2-octanol 4.3
    2-hexanone 10.94
    octyl acetate 7.18
    limonene 3.3
    1,2-dimethoxyethane 75.56
    ethyl orthosilicate 5.66
    tributyl phosphate 5.35
    diacetone alcohol 23.15
    N,N-dimethylaniline 8.19
    acrylonitrile 7.44
    aniline 10.81
    1,3-propanediol 43.29
    bromobenzene 5.34
    dibromomethane 7.14
    1,1,2,2-tetrachloroethane 13.97
    2-methyl-cyclohexyl acetate 10.61
    tetrabutyl urea 8.78
    diisobutyl methanol 2.71
    2-phenylethanol 20.49
    styrene 3.33
    dioctyl adipate 9.76
    dimethyl sulfate 44.65
    ethyl butyrate 7.5
    methyl lactate 24.2
    butyl lactate 18.18
    diethyl carbonate 5.11
    propanediol butyl ether 41.15
    triethyl orthoformate 8.02
    p-tert-butyltoluene 2.65
    methyl 4-tert-butylbenzoate 24.08
    morpholine 107.34
    tert-butylamine 2.17
    n-dodecanol 2.23
    dimethoxymethane 138.76
    ethylene carbonate 23.22
    cyrene 47.82
    2-ethoxyethyl acetate 31.98
    2-ethylhexyl acetate 7.64
    1,2,4-trichlorobenzene 8.77
    4-methylpyridine 19.89
    dibutyl ether 3.48
    2,6-dimethyl-4-heptanol 2.71
    DEF 19.38
    dimethyl isosorbide 53.96
    tetrachloroethylene 13.82
    eugenol 28.22
    triacetin 21.57
    span 80 27.68
    1,4-butanediol 19.12
    1,1-dichloroethane 4.54
    2-methyl-1-pentanol 5.71
    methyl formate 59.2
    2-methyl-1-butanol 4.41
    n-decane 0.32
    butyronitrile 3.88
    3,7-dimethyl-1-octanol 4.74
    1-chlorooctane 1.76
    1-chlorotetradecane 0.52
    n-nonane 0.27
    undecane 0.19
    tert-butylcyclohexane 0.32
    cyclooctane 0.33
    cyclopentanol 15.57
    tetrahydropyran 36.41
    tert-amyl methyl ether 3.66
    2,5,8-trioxanonane 55.52
    1-hexene 1.44
    2-isopropoxyethanol 30.25
    2,2,2-trifluoroethanol 27.58
    methyl butyrate 9.76

    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