(1R,2R,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

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  • Identifiers

    CAS number
    515-03-7

    Molecular formula
    C20H36O2

    SMILES
    C[C@]12CCCC(C1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C

  • Odor profile

    Fragrance
    Woody 88.55%
    Sweet 60.79%
    Amber 54.51%
    Balsamic 54.21%
    Sandalwood 44.37%
    Dry 44.05%
    Cedar 41.99%
    Camphoreous 37.22%
    Pine 36.25%
    Musk 35.07%

     

    Flavor
    Sweet 79.71%
    Woody 77.73%
    Balsam 45.99%
    Pine 40.22%
    Floral 39.4%
    Herbal 37.37%
    Green 37.2%
    Wood 35.22%
    Citrus 35.22%
    Tropical 32.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    9.05 (weak base)

    Molecular weight
    308.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    390°C

    Flash point

    • 164.33 ˚C est.

  • Synonyms

    • Sclareol
    • 515-03-7
    • (1R,2R,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
    • SCHEMBL1245831
    • NP164
    • AKOS001581351
    • AKOS021610537
    • CCG-202807

  • Applications

    Sclareol (CAS 515-03-7) is a natural labdane diterpene alcohol chiefly obtained from clary sage and prized in perfumery for imparting warm, long-lasting amber notes as well as serving as a key intermediate for the industrial production of Ambroxide, Sclareolide, and other high-value fragrance molecules; in cosmetics it functions as a fixative and odor modulator in creams, shampoos, candles, and fine soaps; in pharmaceuticals and biomedical research it is extensively investigated for its ability to trigger apoptosis in a variety of cancer cell lines, and for its antimicrobial, antifungal, anti-inflammatory, and antioxidant activities, making it a promising semi-synthetic drug scaffold; in agriculture it shows insect-repellent and phytopathogenic fungus-inhibiting properties that support crop protection; finally, owing to its bicyclic skeleton, sclareol is an important building block in synthetic chemistry and isotope-labeling studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 282.09
    methanol 303.42
    isopropanol 182.82
    water 0.68
    ethyl acetate 274.92
    n-propanol 229.71
    acetone 290.09
    n-butanol 197.58
    acetonitrile 134.14
    DMF 806.84
    toluene 207.36
    isobutanol 164.79
    1,4-dioxane 734.56
    methyl acetate 206.94
    THF 1651.93
    2-butanone 238.74
    n-pentanol 109.71
    sec-butanol 127.14
    n-hexane 13.89
    ethylene glycol 23.08
    NMP 549.08
    cyclohexane 25.75
    DMSO 321.88
    n-butyl acetate 248.13
    n-octanol 96.66
    chloroform 337.6
    n-propyl acetate 168.03
    acetic acid 188.63
    dichloromethane 282.78
    cyclohexanone 414.72
    propylene glycol 64.32
    isopropyl acetate 246.36
    DMAc 453.56
    2-ethoxyethanol 203.55
    isopentanol 163.86
    n-heptane 18.84
    ethyl formate 139.97
    1,2-dichloroethane 170.52
    n-hexanol 210.24
    2-methoxyethanol 426.38
    isobutyl acetate 153.11
    tetrachloromethane 55.36
    n-pentyl acetate 176.33
    transcutol 1065.28
    n-heptanol 111.57
    ethylbenzene 76.89
    MIBK 213.92
    2-propoxyethanol 513.86
    tert-butanol 199.83
    MTBE 225.06
    2-butoxyethanol 242.52
    propionic acid 139.46
    o-xylene 104.34
    formic acid 73.2
    diethyl ether 273.65
    m-xylene 170.2
    p-xylene 99.0
    chlorobenzene 175.67
    dimethyl carbonate 172.23
    n-octane 6.16
    formamide 117.75
    cyclopentanone 612.47
    2-pentanone 264.43
    anisole 212.63
    cyclopentyl methyl ether 500.31
    gamma-butyrolactone 706.77
    1-methoxy-2-propanol 459.15
    pyridine 386.12
    3-pentanone 179.31
    furfural 487.97
    n-dodecane 3.77
    diethylene glycol 254.43
    diisopropyl ether 95.1
    tert-amyl alcohol 137.1
    acetylacetone 348.44
    n-hexadecane 4.56
    acetophenone 170.25
    methyl propionate 252.39
    isopentyl acetate 249.9
    trichloroethylene 355.6
    n-nonanol 87.56
    cyclohexanol 165.14
    benzyl alcohol 134.14
    2-ethylhexanol 119.39
    isooctanol 93.77
    dipropyl ether 200.9
    1,2-dichlorobenzene 147.54
    ethyl lactate 102.58
    propylene carbonate 332.59
    n-methylformamide 261.1
    2-pentanol 122.17
    n-pentane 16.51
    1-propoxy-2-propanol 391.91
    1-methoxy-2-propyl acetate 395.4
    2-(2-methoxypropoxy) propanol 241.19
    mesitylene 103.1
    ε-caprolactone 386.6
    p-cymene 71.36
    epichlorohydrin 652.91
    1,1,1-trichloroethane 176.18
    2-aminoethanol 102.61
    morpholine-4-carbaldehyde 689.98
    sulfolane 591.51
    2,2,4-trimethylpentane 12.11
    2-methyltetrahydrofuran 598.14
    n-hexyl acetate 234.76
    isooctane 13.52
    2-(2-butoxyethoxy)ethanol 362.33
    sec-butyl acetate 135.72
    tert-butyl acetate 298.87
    decalin 15.94
    glycerin 106.52
    diglyme 620.73
    acrylic acid 115.83
    isopropyl myristate 84.24
    n-butyric acid 242.56
    acetyl acetate 206.32
    di(2-ethylhexyl) phthalate 95.39
    ethyl propionate 157.14
    nitromethane 372.7
    1,2-diethoxyethane 311.05
    benzonitrile 164.99
    trioctyl phosphate 70.59
    1-bromopropane 111.01
    gamma-valerolactone 880.02
    n-decanol 59.39
    triethyl phosphate 96.73
    4-methyl-2-pentanol 96.71
    propionitrile 134.93
    vinylene carbonate 301.69
    1,1,2-trichlorotrifluoroethane 314.16
    DMS 198.14
    cumene 57.16
    2-octanol 68.68
    2-hexanone 149.23
    octyl acetate 105.06
    limonene 94.1
    1,2-dimethoxyethane 451.98
    ethyl orthosilicate 100.26
    tributyl phosphate 80.96
    diacetone alcohol 283.96
    N,N-dimethylaniline 142.23
    acrylonitrile 155.88
    aniline 200.02
    1,3-propanediol 164.68
    bromobenzene 176.03
    dibromomethane 170.68
    1,1,2,2-tetrachloroethane 291.26
    2-methyl-cyclohexyl acetate 180.07
    tetrabutyl urea 105.77
    diisobutyl methanol 84.78
    2-phenylethanol 194.15
    styrene 89.97
    dioctyl adipate 126.09
    dimethyl sulfate 240.11
    ethyl butyrate 178.6
    methyl lactate 170.65
    butyl lactate 166.16
    diethyl carbonate 117.6
    propanediol butyl ether 249.22
    triethyl orthoformate 170.32
    p-tert-butyltoluene 79.54
    methyl 4-tert-butylbenzoate 220.71
    morpholine 805.27
    tert-butylamine 124.71
    n-dodecanol 41.02
    dimethoxymethane 728.52
    ethylene carbonate 262.93
    cyrene 219.9
    2-ethoxyethyl acetate 276.09
    2-ethylhexyl acetate 192.74
    1,2,4-trichlorobenzene 187.3
    4-methylpyridine 389.35
    dibutyl ether 112.92
    2,6-dimethyl-4-heptanol 84.78
    DEF 282.75
    dimethyl isosorbide 517.4
    tetrachloroethylene 172.79
    eugenol 193.02
    triacetin 233.96
    span 80 216.79
    1,4-butanediol 44.96
    1,1-dichloroethane 163.52
    2-methyl-1-pentanol 96.13
    methyl formate 199.4
    2-methyl-1-butanol 140.81
    n-decane 8.68
    butyronitrile 164.19
    3,7-dimethyl-1-octanol 98.03
    1-chlorooctane 48.81
    1-chlorotetradecane 14.41
    n-nonane 8.2
    undecane 5.44
    tert-butylcyclohexane 16.79
    cyclooctane 12.34
    cyclopentanol 209.49
    tetrahydropyran 585.97
    tert-amyl methyl ether 157.67
    2,5,8-trioxanonane 389.4
    1-hexene 51.23
    2-isopropoxyethanol 157.27
    2,2,2-trifluoroethanol 76.35
    methyl butyrate 191.03

    Scent© AI

1 4

IFRA standard 51

Recommendation
Specification
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 See notebox Category 7A
Rinse-off products applied to the hair with some hand contact
 See notebox
Category 2
Products applied to the axillae
 See notebox Category 7B
Leave-on products applied to the hair with some hand contact
 See notebox
Category 3
Products applied to the face/body using fingertips
 See notebox Category 8
Products with significant anogenital exposure
 See notebox
Category 4
Products related to fine fragrance
 See notebox Category 9
Products with body and hand exposure, primarily rinse off
 See notebox
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 See notebox Category 10A
Household care products with mostly hand contact
 See notebox
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 See notebox Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 See notebox
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 See notebox Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 See notebox
Category 5D
Baby Creams, baby Oils and baby talc
 See notebox Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 See notebox
Category 6
Products with oral and lip exposure
 See notebox Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 See notebox

Specification
Sclareol used as a fragrance ingredient should have a minimum purity of 98%.