Uvaol

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  • Identifiers

    CAS number
    545-46-0

    Molecular formula
    C30H50O2

    SMILES
    C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.57%
    Amber 56.58%
    Sandalwood 55.59%
    Dry 50.21%
    Cedar 46.95%
    Sweet 44.14%
    Balsamic 43.88%
    Musk 41.8%
    Vetiver 37.43%
    Spicy 36.03%

     

    Flavor
    Woody 70.05%
    Sweet 60.92%
    Pine 51.82%
    Camphor 49.86%
    Earthy 49.77%
    Balsam 47.88%
    Herbal 42.11%
    Dry 40.16%
    Spicy 39.56%
    Earth 37.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    7.47 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    187°C

    Flash point

    • 247.79 ˚C est.

  • Synonyms

    • Uvaol
    • 545-46-0
    • Urs-12-ene-3beta,28-diol
    • W599R31ROT
    • (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
    • NSC-159627
    • (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
    • RefChem:193427
    • Urs-12-ene-3 beta,28-diol
    • (3 beta)-urs-12-ene-3,28-diol
    • 208-888-3
    • Urs-12-ene-3,28-diol, (3b)-
    • Urs-12-ene-3,28-diol
    • MFCD00009620
    • CHEMBL399873
    • (3beta)-Urs-12-ene-3,28-diol
    • UNII-W599R31ROT
    • (3ss)-Urs-12-ene-3,28-diol; 3,28-Dixydroxyurs-12-ene; 3ss,28-Dihydroxyurs-12-ene; Uvalol
    • EINECS 208-888-3
    • Urs-12-ene-3,28-diol, (3.beta.)-
    • UVALOL
    • Uvaol (AS)
    • NSC 159627
    • Uvaol, >=95%
    • SCHEMBL337913
    • orb1297178
    • BCBcMAP01_000233
    • CHEBI:67894
    • 3beta,28-Dihydroxy-ursa-12-en
    • XUARCIYIVXVTAE-ZAPOICBTSA-N
    • DTXSID901350099
    • 3-beta,28-Dihydroxy-urs-12-ene
    • HY-N1109
    • 3,28-DIHYDROXYURS-12-ENE
    • BDBM50218196
    • MSK001408
    • s9551
    • AKOS016036269
    • EBC-615632
    • FU66007
    • (3.beta.)-Urs-12-ene-3,28-diol
    • SMP1_000309
    • URS-12-EN-3.BETA.,28-DIOL
    • URS-12-ENE-3.BETA.,28-DIOL
    • AS-84026
    • DA-68511
    • ST097776
    • Urs-12-ene-3,28-diol, (3.beta.)
    • 3.BETA.,28-DIHYDROXYURS-12-ENE
    • CS-0016397
    • NS00043850
    • 545U460
    • SR-05000002219
    • SR-05000002219-2
    • Q27136369
    • (1S,7S,15S,16S,20S,2R,5R,10R,11R,17R)-20-(hydroxymethyl)-1,2,6,6,10,16,17-hept amethylpentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-13-en-7-ol
    • (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14bR)-8a-Hydroxymethyl-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol
    • 545-46-0

  • Applications

    Uvaol (CAS 545-46-0) is a naturally occurring pentacyclic triterpenoid found in olive oil. In industry, it is primarily used as a chemical intermediate for the synthesis of other triterpenoid derivatives and related compounds. It is also studied for cosmetic and personal care applications as a skin-conditioning agent with potential antioxidant and anti-inflammatory activity. Additionally, Uvaol is evaluated in pharmaceutical and nutraceutical research as a bioactive compound and may be considered as a supporting material or building block for polymer and biomaterial formulations in research settings. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.11
    methanol 2.2
    isopropanol 2.75
    water 0.01
    ethyl acetate 3.37
    n-propanol 4.74
    acetone 3.9
    n-butanol 5.31
    acetonitrile 1.03
    DMF 11.82
    toluene 5.97
    isobutanol 3.65
    1,4-dioxane 11.66
    methyl acetate 2.41
    THF 17.16
    2-butanone 4.75
    n-pentanol 3.89
    sec-butanol 1.9
    n-hexane 0.26
    ethylene glycol 0.37
    NMP 12.99
    cyclohexane 0.26
    DMSO 3.85
    n-butyl acetate 4.48
    n-octanol 3.53
    chloroform 10.28
    n-propyl acetate 2.98
    acetic acid 2.32
    dichloromethane 5.33
    cyclohexanone 8.67
    propylene glycol 0.76
    isopropyl acetate 4.17
    DMAc 12.83
    2-ethoxyethanol 6.56
    isopentanol 4.56
    n-heptane 0.34
    ethyl formate 1.45
    1,2-dichloroethane 3.62
    n-hexanol 4.52
    2-methoxyethanol 7.52
    isobutyl acetate 3.78
    tetrachloromethane 2.06
    n-pentyl acetate 7.9
    transcutol 22.59
    n-heptanol 6.34
    ethylbenzene 2.93
    MIBK 5.23
    2-propoxyethanol 16.94
    tert-butanol 2.62
    MTBE 3.06
    2-butoxyethanol 16.67
    propionic acid 2.14
    o-xylene 3.41
    formic acid 0.87
    diethyl ether 3.9
    m-xylene 4.73
    p-xylene 3.06
    chlorobenzene 5.25
    dimethyl carbonate 3.19
    n-octane 0.13
    formamide 1.29
    cyclopentanone 10.44
    2-pentanone 5.28
    anisole 7.69
    cyclopentyl methyl ether 7.25
    gamma-butyrolactone 7.67
    1-methoxy-2-propanol 10.29
    pyridine 11.11
    3-pentanone 4.29
    furfural 7.97
    n-dodecane 0.06
    diethylene glycol 6.42
    diisopropyl ether 1.6
    tert-amyl alcohol 1.9
    acetylacetone 6.48
    n-hexadecane 0.07
    acetophenone 6.68
    methyl propionate 4.27
    isopentyl acetate 6.41
    trichloroethylene 9.17
    n-nonanol 4.45
    cyclohexanol 2.82
    benzyl alcohol 5.98
    2-ethylhexanol 3.23
    isooctanol 5.58
    dipropyl ether 4.5
    1,2-dichlorobenzene 4.95
    ethyl lactate 2.6
    propylene carbonate 3.99
    n-methylformamide 2.85
    2-pentanol 2.49
    n-pentane 0.27
    1-propoxy-2-propanol 13.23
    1-methoxy-2-propyl acetate 11.7
    2-(2-methoxypropoxy) propanol 10.6
    mesitylene 2.69
    ε-caprolactone 7.54
    p-cymene 2.74
    epichlorohydrin 9.75
    1,1,1-trichloroethane 3.87
    2-aminoethanol 1.52
    morpholine-4-carbaldehyde 17.73
    sulfolane 9.6
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 5.86
    n-hexyl acetate 7.73
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 15.72
    sec-butyl acetate 2.88
    tert-butyl acetate 5.87
    decalin 0.32
    glycerin 1.72
    diglyme 25.16
    acrylic acid 1.93
    isopropyl myristate 2.52
    n-butyric acid 4.33
    acetyl acetate 3.19
    di(2-ethylhexyl) phthalate 4.94
    ethyl propionate 3.14
    nitromethane 3.4
    1,2-diethoxyethane 6.55
    benzonitrile 4.13
    trioctyl phosphate 3.13
    1-bromopropane 2.15
    gamma-valerolactone 18.55
    n-decanol 2.24
    triethyl phosphate 3.16
    4-methyl-2-pentanol 2.58
    propionitrile 2.2
    vinylene carbonate 4.65
    1,1,2-trichlorotrifluoroethane 8.03
    DMS 5.38
    cumene 2.24
    2-octanol 2.84
    2-hexanone 4.03
    octyl acetate 3.5
    limonene 2.57
    1,2-dimethoxyethane 10.27
    ethyl orthosilicate 3.8
    tributyl phosphate 2.49
    diacetone alcohol 7.01
    N,N-dimethylaniline 6.7
    acrylonitrile 2.44
    aniline 5.97
    1,3-propanediol 3.52
    bromobenzene 5.46
    dibromomethane 3.73
    1,1,2,2-tetrachloroethane 7.31
    2-methyl-cyclohexyl acetate 5.68
    tetrabutyl urea 4.0
    diisobutyl methanol 2.55
    2-phenylethanol 8.76
    styrene 3.02
    dioctyl adipate 4.8
    dimethyl sulfate 4.91
    ethyl butyrate 4.09
    methyl lactate 3.28
    butyl lactate 7.67
    diethyl carbonate 2.52
    propanediol butyl ether 9.85
    triethyl orthoformate 5.25
    p-tert-butyltoluene 2.98
    methyl 4-tert-butylbenzoate 13.45
    morpholine 13.11
    tert-butylamine 1.63
    n-dodecanol 1.1
    dimethoxymethane 12.89
    ethylene carbonate 3.84
    cyrene 10.27
    2-ethoxyethyl acetate 12.03
    2-ethylhexyl acetate 5.04
    1,2,4-trichlorobenzene 7.15
    4-methylpyridine 9.06
    dibutyl ether 2.07
    2,6-dimethyl-4-heptanol 2.55
    DEF 5.98
    dimethyl isosorbide 17.82
    tetrachloroethylene 5.72
    eugenol 13.79
    triacetin 8.38
    span 80 9.44
    1,4-butanediol 1.52
    1,1-dichloroethane 2.95
    2-methyl-1-pentanol 3.4
    methyl formate 1.87
    2-methyl-1-butanol 3.66
    n-decane 0.18
    butyronitrile 2.44
    3,7-dimethyl-1-octanol 3.18
    1-chlorooctane 1.12
    1-chlorotetradecane 0.25
    n-nonane 0.15
    undecane 0.09
    tert-butylcyclohexane 0.36
    cyclooctane 0.19
    cyclopentanol 2.69
    tetrahydropyran 7.22
    tert-amyl methyl ether 2.37
    2,5,8-trioxanonane 15.13
    1-hexene 1.01
    2-isopropoxyethanol 5.62
    2,2,2-trifluoroethanol 1.26
    methyl butyrate 3.43

    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