Maniladiol

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  • Identifiers

    CAS number
    595-17-5

    Molecular formula
    C30H50O2

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C)O)C)C)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.84%
    Amber 56.56%
    Dry 52.0%
    Cedar 49.26%
    Earthy 44.46%
    Sweet 42.58%
    Balsamic 42.51%
    Camphoreous 42.0%
    Spicy 41.56%
    Sandalwood 41.28%

     

    Flavor
    Woody 75.84%
    Camphor 61.94%
    Sweet 57.15%
    Pine 56.68%
    Earthy 51.16%
    Balsam 48.06%
    Herbal 44.56%
    Dry 43.14%
    Spicy 41.01%
    Earth 40.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    7.36 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    181°C

    Flash point

    • 236.34 ˚C est.

  • Synonyms

    • Maniladiol
    • 595-17-5
    • 16beta-hydroxy-beta-amyrin
    • olean-12-ene-3beta,16beta-diol
    • LB0NCS29FD
    • CHEBI:138945
    • Olean-12-ene-3,16-diol, (3beta,16beta)-
    • RefChem:41665
    • (3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
    • Olean-12-ene-3.beta.,16.beta.-diol
    • C30H50O2
    • UNII-LB0NCS29FD
    • 3beta,16beta-Dihydroxyolean-12-ene
    • (3beta,16beta)-Olean-12-ene-3,16-diol
    • SCHEMBL1050019
    • CHEMBL1977415
    • NSC707002
    • NSC-707002
    • NCI60_038026
    • C21820
    • 3.BETA.,16.BETA.-DIHYDROXYOLEAN-12-ENE
    • Q27282898
    • OLEAN-12-ENE-3,16-DIOL, (3.BETA.,16.BETA.)-
    • 595-17-5

  • Applications

    Maniladiol (CAS 595-17-5) is primarily considered as an aroma-related intermediate and odorant in the fragrance and flavor industries; it can serve as a building block for the synthesis of more complex fragrance compounds and aroma precursors. In cosmetics and personal care, it may be used as a fragrance ingredient. In industrial manufacturing, it is evaluated as a chemical intermediate for the synthesis of specialty chemicals and as a potential building block for polymers and coatings. In coatings and inks, it may be incorporated as an aroma additive for consumer products. In household cleaning formulations, it is used to impart fragrance notes. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.11
    methanol 2.15
    isopropanol 3.95
    water 0.01
    ethyl acetate 6.72
    n-propanol 6.83
    acetone 5.82
    n-butanol 8.09
    acetonitrile 1.5
    DMF 20.85
    toluene 11.98
    isobutanol 5.62
    1,4-dioxane 23.17
    methyl acetate 4.49
    THF 41.42
    2-butanone 8.5
    n-pentanol 6.33
    sec-butanol 3.68
    n-hexane 0.58
    ethylene glycol 0.38
    NMP 22.14
    cyclohexane 0.55
    DMSO 5.67
    n-butyl acetate 8.91
    n-octanol 6.2
    chloroform 17.75
    n-propyl acetate 5.4
    acetic acid 2.9
    dichloromethane 8.33
    cyclohexanone 14.49
    propylene glycol 1.04
    isopropyl acetate 8.07
    DMAc 23.61
    2-ethoxyethanol 9.64
    isopentanol 7.05
    n-heptane 0.74
    ethyl formate 2.3
    1,2-dichloroethane 5.84
    n-hexanol 8.0
    2-methoxyethanol 11.04
    isobutyl acetate 6.79
    tetrachloromethane 3.37
    n-pentyl acetate 13.66
    transcutol 38.73
    n-heptanol 9.98
    ethylbenzene 5.96
    MIBK 9.35
    2-propoxyethanol 27.17
    tert-butanol 4.08
    MTBE 6.93
    2-butoxyethanol 23.75
    propionic acid 3.18
    o-xylene 6.36
    formic acid 0.95
    diethyl ether 8.68
    m-xylene 9.09
    p-xylene 5.88
    chlorobenzene 8.72
    dimethyl carbonate 5.34
    n-octane 0.27
    formamide 1.52
    cyclopentanone 18.6
    2-pentanone 9.93
    anisole 13.95
    cyclopentyl methyl ether 15.89
    gamma-butyrolactone 13.73
    1-methoxy-2-propanol 16.34
    pyridine 19.13
    3-pentanone 8.32
    furfural 12.8
    n-dodecane 0.12
    diethylene glycol 8.19
    diisopropyl ether 3.56
    tert-amyl alcohol 3.75
    acetylacetone 11.05
    n-hexadecane 0.15
    acetophenone 10.91
    methyl propionate 8.45
    isopentyl acetate 12.27
    trichloroethylene 15.36
    n-nonanol 7.73
    cyclohexanol 5.08
    benzyl alcohol 9.25
    2-ethylhexanol 6.07
    isooctanol 8.97
    dipropyl ether 9.65
    1,2-dichlorobenzene 8.19
    ethyl lactate 4.23
    propylene carbonate 6.75
    n-methylformamide 4.09
    2-pentanol 4.88
    n-pentane 0.6
    1-propoxy-2-propanol 22.85
    1-methoxy-2-propyl acetate 21.51
    2-(2-methoxypropoxy) propanol 17.61
    mesitylene 5.0
    ε-caprolactone 13.84
    p-cymene 5.04
    epichlorohydrin 17.58
    1,1,1-trichloroethane 6.9
    2-aminoethanol 1.87
    morpholine-4-carbaldehyde 33.17
    sulfolane 14.85
    2,2,4-trimethylpentane 0.52
    2-methyltetrahydrofuran 14.08
    n-hexyl acetate 14.25
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 25.25
    sec-butyl acetate 5.72
    tert-butyl acetate 10.84
    decalin 0.7
    glycerin 2.13
    diglyme 40.41
    acrylic acid 2.78
    isopropyl myristate 4.97
    n-butyric acid 6.53
    acetyl acetate 5.32
    di(2-ethylhexyl) phthalate 7.69
    ethyl propionate 6.09
    nitromethane 4.75
    1,2-diethoxyethane 13.77
    benzonitrile 6.43
    trioctyl phosphate 5.23
    1-bromopropane 4.43
    gamma-valerolactone 31.13
    n-decanol 4.3
    triethyl phosphate 5.54
    4-methyl-2-pentanol 4.76
    propionitrile 3.37
    vinylene carbonate 7.5
    1,1,2-trichlorotrifluoroethane 11.79
    DMS 9.54
    cumene 4.45
    2-octanol 5.12
    2-hexanone 7.34
    octyl acetate 6.64
    limonene 5.05
    1,2-dimethoxyethane 18.08
    ethyl orthosilicate 6.7
    tributyl phosphate 4.45
    diacetone alcohol 11.47
    N,N-dimethylaniline 12.53
    acrylonitrile 3.45
    aniline 10.47
    1,3-propanediol 4.33
    bromobenzene 9.23
    dibromomethane 6.14
    1,1,2,2-tetrachloroethane 12.67
    2-methyl-cyclohexyl acetate 9.7
    tetrabutyl urea 6.88
    diisobutyl methanol 4.72
    2-phenylethanol 13.61
    styrene 6.04
    dioctyl adipate 8.21
    dimethyl sulfate 7.95
    ethyl butyrate 7.79
    methyl lactate 5.24
    butyl lactate 12.35
    diethyl carbonate 4.64
    propanediol butyl ether 14.76
    triethyl orthoformate 9.76
    p-tert-butyltoluene 5.52
    methyl 4-tert-butylbenzoate 19.86
    morpholine 28.23
    tert-butylamine 2.94
    n-dodecanol 2.28
    dimethoxymethane 21.83
    ethylene carbonate 6.2
    cyrene 15.92
    2-ethoxyethyl acetate 20.17
    2-ethylhexyl acetate 10.08
    1,2,4-trichlorobenzene 11.65
    4-methylpyridine 16.73
    dibutyl ether 4.59
    2,6-dimethyl-4-heptanol 4.72
    DEF 12.12
    dimethyl isosorbide 29.74
    tetrachloroethylene 8.92
    eugenol 20.29
    triacetin 13.71
    span 80 15.86
    1,4-butanediol 1.78
    1,1-dichloroethane 5.42
    2-methyl-1-pentanol 5.74
    methyl formate 2.74
    2-methyl-1-butanol 6.27
    n-decane 0.38
    butyronitrile 4.15
    3,7-dimethyl-1-octanol 6.0
    1-chlorooctane 2.31
    1-chlorotetradecane 0.53
    n-nonane 0.32
    undecane 0.19
    tert-butylcyclohexane 0.79
    cyclooctane 0.39
    cyclopentanol 5.03
    tetrahydropyran 16.09
    tert-amyl methyl ether 5.94
    2,5,8-trioxanonane 24.27
    1-hexene 2.33
    2-isopropoxyethanol 8.73
    2,2,2-trifluoroethanol 1.54
    methyl butyrate 6.43

    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