Dolichosterone

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  • Identifiers

    CAS number
    85797-15-5

    Molecular formula
    C28H46O5

    SMILES
    C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=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 63.88%
    Odorless 44.47%
    Cooling 40.1%
    Mint 38.97%
    Amber 31.43%
    Spicy 30.42%
    Balsamic 29.04%
    Cedar 28.82%
    Camphoreous 28.03%
    Dry 27.21%

     

    Flavor
    Bitter 62.15%
    Odorless 27.39%
    Cedarleaf 23.11%
    Sweet-like 22.31%
    Bland 21.81%
    Herbal 21.16%
    Green tea 20.24%
    Mentholic 20.0%
    Sandalwood 19.98%
    Clary 19.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    6.23 (neutral)

    Molecular weight
    462.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    126°C

    Flash point

    • 246.26 ˚C est.

  • Synonyms

    • Dolichosterone
    • DTXSID301317362
    • 85797-15-5
    • RefChem:135595
    • DTXCID501747179
    • 17-(3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-6-one
    • (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R)-3,4-Dihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
    • SCHEMBL29647945
    • CHEBI:172693
    • (22R,23R)-2alpha,3alpha,22,23-Tetrahydroxy-5alpha-ergost-24(28)-en-6-one
    • 85797-15-5

  • Applications

    Dolichosterone (CAS 85797-15-5) is used in specialty applications aligned with its long-chain, lipophilic structure, functioning as a high-boiling solvent and processing aid; it is evaluated as a fragrance ingredient or fixative in perfumery and cosmetics, contributing to scent persistence and formulation stability; in coatings and inks it can act as a plasticizer or rheology modifier and assist film formation; in polymers and plastics processing it may serve as a compatibilizer or softening agent; in industrial manufacturing it can be employed as an intermediate or precursor in the synthesis of more complex terpenoid- or steroid-like compounds for research purposes; and in chemical synthesis contexts it is often explored as an intermediate for preparing more complex molecules, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.54
    methanol 50.72
    isopropanol 4.43
    water 0.17
    ethyl acetate 3.17
    n-propanol 7.16
    acetone 11.8
    n-butanol 3.56
    acetonitrile 1.31
    DMF 38.41
    toluene 2.25
    isobutanol 2.88
    1,4-dioxane 30.89
    methyl acetate 2.77
    THF 120.53
    2-butanone 4.8
    n-pentanol 2.92
    sec-butanol 1.39
    n-hexane 0.12
    ethylene glycol 5.05
    NMP 21.88
    cyclohexane 0.17
    DMSO 66.6
    n-butyl acetate 3.4
    n-octanol 2.94
    chloroform 5.14
    n-propyl acetate 2.44
    acetic acid 19.99
    dichloromethane 3.63
    cyclohexanone 10.36
    propylene glycol 4.88
    isopropyl acetate 3.58
    DMAc 24.56
    2-ethoxyethanol 22.65
    isopentanol 2.63
    n-heptane 0.16
    ethyl formate 3.09
    1,2-dichloroethane 2.52
    n-hexanol 4.18
    2-methoxyethanol 48.35
    isobutyl acetate 2.26
    tetrachloromethane 1.12
    n-pentyl acetate 6.4
    transcutol 51.02
    n-heptanol 4.89
    ethylbenzene 1.18
    MIBK 4.45
    2-propoxyethanol 38.6
    tert-butanol 3.21
    MTBE 1.88
    2-butoxyethanol 25.68
    propionic acid 4.06
    o-xylene 1.42
    formic acid 15.91
    diethyl ether 3.29
    m-xylene 2.02
    p-xylene 1.3
    chlorobenzene 1.99
    dimethyl carbonate 5.38
    n-octane 0.1
    formamide 15.81
    cyclopentanone 23.68
    2-pentanone 4.95
    anisole 4.54
    cyclopentyl methyl ether 9.34
    gamma-butyrolactone 20.83
    1-methoxy-2-propanol 26.61
    pyridine 11.05
    3-pentanone 3.04
    furfural 17.3
    n-dodecane 0.05
    diethylene glycol 33.49
    diisopropyl ether 0.9
    tert-amyl alcohol 1.35
    acetylacetone 12.48
    n-hexadecane 0.06
    acetophenone 5.34
    methyl propionate 4.08
    isopentyl acetate 3.95
    trichloroethylene 6.41
    n-nonanol 3.31
    cyclohexanol 2.11
    benzyl alcohol 6.4
    2-ethylhexanol 1.6
    isooctanol 3.6
    dipropyl ether 2.84
    1,2-dichlorobenzene 1.96
    ethyl lactate 3.59
    propylene carbonate 6.56
    n-methylformamide 15.42
    2-pentanol 1.35
    n-pentane 0.12
    1-propoxy-2-propanol 18.12
    1-methoxy-2-propyl acetate 12.79
    2-(2-methoxypropoxy) propanol 13.74
    mesitylene 1.11
    ε-caprolactone 8.97
    p-cymene 1.04
    epichlorohydrin 25.07
    1,1,1-trichloroethane 1.52
    2-aminoethanol 12.72
    morpholine-4-carbaldehyde 42.66
    sulfolane 31.18
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 9.16
    n-hexyl acetate 6.21
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 25.19
    sec-butyl acetate 1.69
    tert-butyl acetate 5.06
    decalin 0.14
    glycerin 13.74
    diglyme 42.94
    acrylic acid 5.97
    isopropyl myristate 1.63
    n-butyric acid 5.82
    acetyl acetate 4.11
    di(2-ethylhexyl) phthalate 3.72
    ethyl propionate 2.08
    nitromethane 16.98
    1,2-diethoxyethane 8.73
    benzonitrile 2.94
    trioctyl phosphate 2.5
    1-bromopropane 0.95
    gamma-valerolactone 49.34
    n-decanol 1.67
    triethyl phosphate 2.01
    4-methyl-2-pentanol 1.47
    propionitrile 1.43
    vinylene carbonate 7.49
    1,1,2-trichlorotrifluoroethane 21.03
    DMS 5.35
    cumene 0.9
    2-octanol 1.82
    2-hexanone 3.26
    octyl acetate 2.66
    limonene 1.1
    1,2-dimethoxyethane 25.2
    ethyl orthosilicate 2.09
    tributyl phosphate 1.89
    diacetone alcohol 9.29
    N,N-dimethylaniline 3.4
    acrylonitrile 2.53
    aniline 3.86
    1,3-propanediol 16.58
    bromobenzene 1.69
    dibromomethane 2.09
    1,1,2,2-tetrachloroethane 4.88
    2-methyl-cyclohexyl acetate 3.49
    tetrabutyl urea 3.1
    diisobutyl methanol 1.25
    2-phenylethanol 8.32
    styrene 1.19
    dioctyl adipate 3.44
    dimethyl sulfate 10.79
    ethyl butyrate 2.5
    methyl lactate 7.48
    butyl lactate 8.27
    diethyl carbonate 1.64
    propanediol butyl ether 20.71
    triethyl orthoformate 3.3
    p-tert-butyltoluene 1.1
    methyl 4-tert-butylbenzoate 10.28
    morpholine 32.23
    tert-butylamine 1.05
    n-dodecanol 0.85
    dimethoxymethane 43.2
    ethylene carbonate 5.58
    cyrene 16.03
    2-ethoxyethyl acetate 13.98
    2-ethylhexyl acetate 2.65
    1,2,4-trichlorobenzene 2.79
    4-methylpyridine 6.13
    dibutyl ether 1.6
    2,6-dimethyl-4-heptanol 1.25
    DEF 5.38
    dimethyl isosorbide 23.87
    tetrachloroethylene 4.68
    eugenol 12.56
    triacetin 8.81
    span 80 12.65
    1,4-butanediol 5.4
    1,1-dichloroethane 1.42
    2-methyl-1-pentanol 1.88
    methyl formate 10.97
    2-methyl-1-butanol 1.8
    n-decane 0.13
    butyronitrile 1.52
    3,7-dimethyl-1-octanol 2.12
    1-chlorooctane 0.67
    1-chlorotetradecane 0.16
    n-nonane 0.11
    undecane 0.07
    tert-butylcyclohexane 0.12
    cyclooctane 0.11
    cyclopentanol 3.76
    tetrahydropyran 9.13
    tert-amyl methyl ether 1.25
    2,5,8-trioxanonane 24.88
    1-hexene 0.46
    2-isopropoxyethanol 10.58
    2,2,2-trifluoroethanol 6.6
    methyl butyrate 2.78

    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