Uralenolide

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  • Identifiers

    CAS number
    111150-27-7

    Molecular formula
    C30H44O4

    SMILES
    C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2C=CC4=C5C[C@]6(C[C@@H]([C@@]5(CC[C@]43C)C)OC6=O)C)C)(C)CO)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.96%
    Amber 51.84%
    Cedar 42.98%
    Dry 42.76%
    Musk 41.51%
    Sandalwood 39.75%
    Powdery 32.77%
    Balsamic 31.19%
    Spicy 31.12%
    Animal 30.48%

     

    Flavor
    Bitter 60.8%
    Woody 47.6%
    Camphor 39.24%
    Pine 35.29%
    Balsam 30.98%
    Herbal 30.68%
    Earthy 30.63%
    Spicy 28.7%
    Earth 26.33%
    Patchouli 24.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    6.24 (neutral)

    Molecular weight
    468.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    143°C

    Flash point

    • 267.21 ˚C est.

  • Synonyms

    • Uralenolide
    • RefChem:193180
    • 111150-27-7
    • (3beta,4beta,20beta,22beta)-3,22,23-Trihydroxyoleana-11,13(18)-dien-29-oic acid gamma-lactone
    • 3,22,23-Trihydroxyoleana-11,13(18)-dien-29-oic acid gamma-lactone, (3beta,4beta,20beta,22beta)-
    • (1S,2R,5S,6R,9R,10S,11S,14S,15R,21S)-11-Hydroxy-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracosa-16,18-dien-22-one
    • Oleana-11,13(18)-dien-29-oic acid, 3,22,23-trihydroxy-, gamma-lactone, (3beta,4beta,20beta,22beta)-
    • DTXSID20912015
    • CHEBI:189975
    • 3,23-Dihydroxy-22,29-epoxyoleana-11,13(18)-dien-29-one
    • 3beta,23-Dihydroxy-22alpha-22,29-epoxyoleana-11,13(18)-dien-29-one
    • 111150-27-7

  • Applications

    Uralenolide (CAS 111150-27-7) is a lactone-type compound that may be used as a synthetic intermediate in organic synthesis and, owing to its potential odor characteristics, is often evaluated as an odorant for fragrance formulations. It may also serve as a processing aid or solvent in specialty coatings, inks, or polymer formulations, and could act as a plasticizer or stabilizer in certain polymer systems. Additionally, it is sometimes explored as a building block for pharmaceutical or agrochemical synthesis under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.0
    methanol 12.08
    isopropanol 11.42
    water 0.02
    ethyl acetate 8.3
    n-propanol 17.24
    acetone 13.26
    n-butanol 15.05
    acetonitrile 6.58
    DMF 66.34
    toluene 8.77
    isobutanol 9.93
    1,4-dioxane 29.88
    methyl acetate 7.62
    THF 47.2
    2-butanone 14.24
    n-pentanol 9.95
    sec-butanol 4.73
    n-hexane 0.26
    ethylene glycol 2.26
    NMP 35.6
    cyclohexane 0.34
    DMSO 20.29
    n-butyl acetate 7.79
    n-octanol 4.63
    chloroform 31.12
    n-propyl acetate 6.26
    acetic acid 12.17
    dichloromethane 15.28
    cyclohexanone 22.43
    propylene glycol 3.67
    isopropyl acetate 8.61
    DMAc 40.41
    2-ethoxyethanol 21.23
    isopentanol 9.42
    n-heptane 0.26
    ethyl formate 5.93
    1,2-dichloroethane 9.17
    n-hexanol 10.87
    2-methoxyethanol 34.81
    isobutyl acetate 6.48
    tetrachloromethane 4.08
    n-pentyl acetate 11.75
    transcutol 34.32
    n-heptanol 8.91
    ethylbenzene 3.69
    MIBK 10.09
    2-propoxyethanol 48.51
    tert-butanol 6.41
    MTBE 4.67
    2-butoxyethanol 29.49
    propionic acid 7.89
    o-xylene 4.37
    formic acid 5.77
    diethyl ether 7.92
    m-xylene 5.84
    p-xylene 3.98
    chlorobenzene 9.06
    dimethyl carbonate 10.48
    n-octane 0.12
    formamide 8.78
    cyclopentanone 30.22
    2-pentanone 13.64
    anisole 11.26
    cyclopentyl methyl ether 12.91
    gamma-butyrolactone 24.96
    1-methoxy-2-propanol 35.32
    pyridine 26.43
    3-pentanone 10.18
    furfural 24.33
    n-dodecane 0.08
    diethylene glycol 24.15
    diisopropyl ether 2.13
    tert-amyl alcohol 3.42
    acetylacetone 15.39
    n-hexadecane 0.1
    acetophenone 11.82
    methyl propionate 11.73
    isopentyl acetate 9.36
    trichloroethylene 24.77
    n-nonanol 5.6
    cyclohexanol 5.83
    benzyl alcohol 13.18
    2-ethylhexanol 4.72
    isooctanol 6.92
    dipropyl ether 5.31
    1,2-dichlorobenzene 8.6
    ethyl lactate 7.0
    propylene carbonate 11.47
    n-methylformamide 20.64
    2-pentanol 5.39
    n-pentane 0.31
    1-propoxy-2-propanol 25.77
    1-methoxy-2-propyl acetate 18.99
    2-(2-methoxypropoxy) propanol 16.64
    mesitylene 2.91
    ε-caprolactone 17.86
    p-cymene 2.56
    epichlorohydrin 31.46
    1,1,1-trichloroethane 8.13
    2-aminoethanol 8.3
    morpholine-4-carbaldehyde 56.19
    sulfolane 27.56
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 12.17
    n-hexyl acetate 11.53
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 23.53
    sec-butyl acetate 5.03
    tert-butyl acetate 8.95
    decalin 0.32
    glycerin 8.54
    diglyme 39.57
    acrylic acid 8.47
    isopropyl myristate 3.53
    n-butyric acid 15.15
    acetyl acetate 7.37
    di(2-ethylhexyl) phthalate 7.17
    ethyl propionate 6.39
    nitromethane 19.82
    1,2-diethoxyethane 9.22
    benzonitrile 10.23
    trioctyl phosphate 4.8
    1-bromopropane 4.75
    gamma-valerolactone 55.81
    n-decanol 3.0
    triethyl phosphate 4.74
    4-methyl-2-pentanol 4.44
    propionitrile 9.32
    vinylene carbonate 15.05
    1,1,2-trichlorotrifluoroethane 25.23
    DMS 9.95
    cumene 2.5
    2-octanol 3.75
    2-hexanone 8.78
    octyl acetate 5.24
    limonene 2.63
    1,2-dimethoxyethane 27.53
    ethyl orthosilicate 5.17
    tributyl phosphate 3.88
    diacetone alcohol 13.59
    N,N-dimethylaniline 8.14
    acrylonitrile 12.76
    aniline 12.63
    1,3-propanediol 16.56
    bromobenzene 8.42
    dibromomethane 9.91
    1,1,2,2-tetrachloroethane 19.64
    2-methyl-cyclohexyl acetate 8.06
    tetrabutyl urea 6.45
    diisobutyl methanol 2.76
    2-phenylethanol 16.86
    styrene 4.14
    dioctyl adipate 6.69
    dimethyl sulfate 14.1
    ethyl butyrate 6.23
    methyl lactate 12.12
    butyl lactate 13.16
    diethyl carbonate 4.19
    propanediol butyl ether 17.98
    triethyl orthoformate 7.09
    p-tert-butyltoluene 2.57
    methyl 4-tert-butylbenzoate 17.08
    morpholine 39.8
    tert-butylamine 3.01
    n-dodecanol 1.59
    dimethoxymethane 45.31
    ethylene carbonate 12.21
    cyrene 20.46
    2-ethoxyethyl acetate 19.11
    2-ethylhexyl acetate 6.94
    1,2,4-trichlorobenzene 12.06
    4-methylpyridine 20.74
    dibutyl ether 2.54
    2,6-dimethyl-4-heptanol 2.76
    DEF 15.19
    dimethyl isosorbide 26.27
    tetrachloroethylene 14.37
    eugenol 20.56
    triacetin 12.78
    span 80 13.93
    1,4-butanediol 6.08
    1,1-dichloroethane 8.11
    2-methyl-1-pentanol 6.33
    methyl formate 11.74
    2-methyl-1-butanol 7.34
    n-decane 0.21
    butyronitrile 8.98
    3,7-dimethyl-1-octanol 3.81
    1-chlorooctane 1.38
    1-chlorotetradecane 0.35
    n-nonane 0.17
    undecane 0.12
    tert-butylcyclohexane 0.3
    cyclooctane 0.18
    cyclopentanol 7.9
    tetrahydropyran 16.29
    tert-amyl methyl ether 3.44
    2,5,8-trioxanonane 23.77
    1-hexene 1.34
    2-isopropoxyethanol 14.19
    2,2,2-trifluoroethanol 5.6
    methyl butyrate 7.65

    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