(+)-Sclareol oxide

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  • Identifiers

    CAS number
    5153-92-4

    Molecular formula
    C18H30O

    SMILES
    CC1=CC[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2(O1)C)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.04%
    Amber 63.23%
    Dry 57.23%
    Cedar 54.52%
    Musk 51.26%
    Sweet 45.99%
    Spicy 44.35%
    Tobacco 41.09%
    Camphoreous 37.58%
    Powdery 35.88%

     

    Flavor
    Sweet 69.51%
    Dry 44.19%
    Pine 43.69%
    Camphor 42.81%
    Woody 41.89%
    Fresh 33.88%
    Earthy 31.76%
    Herbal 31.47%
    Old paper 26.78%
    Mint 25.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    8.84 (weak base)

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 151.52 ˚C est.

  • Synonyms

    • (+)-Sclareol oxide
    • DTXSID601315941
    • 5153-92-4
    • RefChem:1048997
    • DTXCID901745820
    • Sclareol oxide
    • SCHEMBL17627625
    • 8,13-Epoxy-15,16-dinorlab-12-ene
    • (4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene
    • Q67880083
    • (4aR,6aS,10aS,10bR)-3,4a,7,7,10a-Pentamethyl-4a,5,6,6a,7,8,9,10,10a,10b-decahydro-1H-naphtho[2,1-b]pyran
    • 5153-92-4

  • Applications

    (+)-Sclareol oxide (CAS 5153-92-4) is a terpene oxide derivative primarily used as an intermediate in the synthesis of fragrance compounds and other aroma ingredients. In the fragrance industry it is often a starting material for chemical transformations to yield sclareol-based odorants and can serve as a chiral building block for pharmaceutical intermediates in R&D. In cosmetics and personal care, it may be used as a fragrance ingredient or intermediate, and in industrial manufacturing it functions as a precursor for terpenoid reaction sequences to develop new fragrance materials, while it is also commonly evaluated for potential flavor applications as a scent-related intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 124.02
    methanol 101.51
    isopropanol 100.39
    water 0.89
    ethyl acetate 393.84
    n-propanol 164.53
    acetone 283.77
    n-butanol 172.66
    acetonitrile 252.4
    DMF 339.94
    toluene 822.54
    isobutanol 160.75
    1,4-dioxane 760.22
    methyl acetate 330.23
    THF 1043.72
    2-butanone 329.83
    n-pentanol 105.72
    sec-butanol 113.85
    n-hexane 62.51
    ethylene glycol 20.02
    NMP 639.15
    cyclohexane 255.7
    DMSO 153.84
    n-butyl acetate 403.19
    n-octanol 148.91
    chloroform 1240.54
    n-propyl acetate 226.04
    acetic acid 170.37
    dichloromethane 959.53
    cyclohexanone 812.13
    propylene glycol 31.91
    isopropyl acetate 305.87
    DMAc 402.36
    2-ethoxyethanol 120.27
    isopentanol 172.35
    n-heptane 87.15
    ethyl formate 190.56
    1,2-dichloroethane 486.81
    n-hexanol 278.8
    2-methoxyethanol 195.68
    isobutyl acetate 222.52
    tetrachloromethane 211.06
    n-pentyl acetate 326.5
    transcutol 652.4
    n-heptanol 158.47
    ethylbenzene 261.24
    MIBK 239.65
    2-propoxyethanol 369.72
    tert-butanol 115.39
    MTBE 226.43
    2-butoxyethanol 227.42
    propionic acid 177.06
    o-xylene 387.86
    formic acid 42.45
    diethyl ether 339.19
    m-xylene 491.31
    p-xylene 325.81
    chlorobenzene 638.07
    dimethyl carbonate 172.42
    n-octane 29.51
    formamide 60.43
    cyclopentanone 721.69
    2-pentanone 303.47
    anisole 317.35
    cyclopentyl methyl ether 612.09
    gamma-butyrolactone 761.96
    1-methoxy-2-propanol 180.13
    pyridine 794.29
    3-pentanone 324.17
    furfural 590.84
    n-dodecane 24.41
    diethylene glycol 169.78
    diisopropyl ether 150.79
    tert-amyl alcohol 107.99
    acetylacetone 365.45
    n-hexadecane 29.4
    acetophenone 307.67
    methyl propionate 334.37
    isopentyl acetate 398.68
    trichloroethylene 1002.34
    n-nonanol 142.79
    cyclohexanol 314.48
    benzyl alcohol 220.4
    2-ethylhexanol 207.58
    isooctanol 139.39
    dipropyl ether 266.29
    1,2-dichlorobenzene 511.18
    ethyl lactate 106.95
    propylene carbonate 457.55
    n-methylformamide 153.14
    2-pentanol 120.81
    n-pentane 75.09
    1-propoxy-2-propanol 266.5
    1-methoxy-2-propyl acetate 407.75
    2-(2-methoxypropoxy) propanol 235.91
    mesitylene 293.01
    ε-caprolactone 690.61
    p-cymene 205.59
    epichlorohydrin 677.43
    1,1,1-trichloroethane 535.71
    2-aminoethanol 55.88
    morpholine-4-carbaldehyde 629.35
    sulfolane 573.57
    2,2,4-trimethylpentane 41.86
    2-methyltetrahydrofuran 744.61
    n-hexyl acetate 434.25
    isooctane 35.19
    2-(2-butoxyethoxy)ethanol 284.35
    sec-butyl acetate 202.4
    tert-butyl acetate 303.45
    decalin 92.97
    glycerin 50.4
    diglyme 524.62
    acrylic acid 152.75
    isopropyl myristate 171.5
    n-butyric acid 265.49
    acetyl acetate 320.02
    di(2-ethylhexyl) phthalate 174.86
    ethyl propionate 232.03
    nitromethane 273.43
    1,2-diethoxyethane 330.21
    benzonitrile 422.19
    trioctyl phosphate 123.8
    1-bromopropane 380.01
    gamma-valerolactone 930.0
    n-decanol 102.59
    triethyl phosphate 151.78
    4-methyl-2-pentanol 103.6
    propionitrile 259.34
    vinylene carbonate 473.58
    1,1,2-trichlorotrifluoroethane 350.87
    DMS 345.62
    cumene 172.14
    2-octanol 108.43
    2-hexanone 215.33
    octyl acetate 207.18
    limonene 276.1
    1,2-dimethoxyethane 274.38
    ethyl orthosilicate 153.13
    tributyl phosphate 143.8
    diacetone alcohol 214.54
    N,N-dimethylaniline 227.55
    acrylonitrile 274.8
    aniline 436.43
    1,3-propanediol 97.72
    bromobenzene 807.07
    dibromomethane 667.56
    1,1,2,2-tetrachloroethane 738.19
    2-methyl-cyclohexyl acetate 284.88
    tetrabutyl urea 170.54
    diisobutyl methanol 120.05
    2-phenylethanol 315.56
    styrene 308.15
    dioctyl adipate 219.83
    dimethyl sulfate 197.2
    ethyl butyrate 273.5
    methyl lactate 122.52
    butyl lactate 195.95
    diethyl carbonate 197.55
    propanediol butyl ether 168.1
    triethyl orthoformate 222.96
    p-tert-butyltoluene 194.78
    methyl 4-tert-butylbenzoate 312.96
    morpholine 701.9
    tert-butylamine 107.3
    n-dodecanol 79.31
    dimethoxymethane 328.58
    ethylene carbonate 420.8
    cyrene 233.43
    2-ethoxyethyl acetate 425.45
    2-ethylhexyl acetate 377.46
    1,2,4-trichlorobenzene 580.67
    4-methylpyridine 811.95
    dibutyl ether 197.3
    2,6-dimethyl-4-heptanol 120.05
    DEF 351.43
    dimethyl isosorbide 449.51
    tetrachloroethylene 476.43
    eugenol 253.25
    triacetin 359.43
    span 80 239.16
    1,4-butanediol 38.36
    1,1-dichloroethane 475.06
    2-methyl-1-pentanol 129.37
    methyl formate 135.35
    2-methyl-1-butanol 173.6
    n-decane 44.01
    butyronitrile 266.61
    3,7-dimethyl-1-octanol 149.34
    1-chlorooctane 151.73
    1-chlorotetradecane 65.49
    n-nonane 42.7
    undecane 31.37
    tert-butylcyclohexane 67.38
    cyclooctane 102.17
    cyclopentanol 261.7
    tetrahydropyran 848.41
    tert-amyl methyl ether 200.51
    2,5,8-trioxanonane 344.08
    1-hexene 139.77
    2-isopropoxyethanol 119.49
    2,2,2-trifluoroethanol 86.02
    methyl butyrate 258.13

    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