Spruceanol

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  • Identifiers

    CAS number
    72963-56-5

    Molecular formula
    C20H28O2

    SMILES
    CC1=C(C=C2C(=C1C=C)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 57.91%
    Sweet 47.97%
    Spicy 41.44%
    Musk 39.29%
    Dry 38.46%
    Phenolic 36.68%
    Amber 35.09%
    Animal 30.14%
    Powdery 29.46%
    Leathery 29.25%

     

    Flavor
    Bitter 50.42%
    Woody 47.67%
    Camphor 33.94%
    Spicy 25.0%
    Balsam 23.92%
    Pine 23.75%
    Sweet 23.0%
    Fir 21.47%
    Sandalwood 20.98%
    Ripe apricot 20.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    8.55 (weak base)

    Molecular weight
    300.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    585°C

    Flash point

    • 215.58 ˚C est.

  • Synonyms

    • Spruceanol
    • 72963-56-5
    • (2R,4aR,10aS)-8-ethenyl-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
    • NSC 312885
    • 3alpha,12-Hydroxy-cleistanth-8,11,13,15-tetraene
    • (2R,4aR,10aS)-1,1,4a,7-tetramethyl-8-vinyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
    • 2,6-Phenanthrenediol, 8-ethenyl-1,2,3,4,4a,9,10,10a-octahydro-1,1,4a,7-tetramethyl-, (2R-(2alpha,4aalpha,10abeta))-
    • NSC-312885
    • RefChem:185060
    • CHEMBL451294
    • CHEBI:9244
    • SCHEMBL30691909
    • DTXSID30993734
    • NSC784479
    • NSC-784479
    • C09188
    • Q27108333
    • 14-Ethenyl-13-methylpodocarpa-8(14),9(11),12-triene-3,12-diol
    • 14-Ethenyl-13-methyl-5beta,10alpha-podocarpa-8(14),9(11),12-triene-3alpha,12-diol
    • 72963-56-5

  • Applications

    Spruceanol (CAS 72963-56-5) is commonly evaluated for fragrance-related applications, where it can serve as an odorant or fragrance ingredient in perfumery and cosmetic formulations, contributing to specific notes in the scent profile. In flavor/fragrance development, it may function as an aroma intermediate or be incorporated into scent formulations used in consumer products. It may also appear in household products such as air fresheners and cleaning formulations as a fragrance component. In industrial manufacturing, Spruceanol can be used as an intermediate in the synthesis of fragrance compounds or as a processing aid in formulating coatings, inks, or adhesives where odor characteristics are desired. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 169.55
    methanol 146.63
    isopropanol 146.46
    water 0.15
    ethyl acetate 109.02
    n-propanol 163.93
    acetone 112.75
    n-butanol 147.7
    acetonitrile 29.01
    DMF 301.37
    toluene 82.15
    isobutanol 88.65
    1,4-dioxane 305.29
    methyl acetate 63.39
    THF 685.71
    2-butanone 101.71
    n-pentanol 45.25
    sec-butanol 49.66
    n-hexane 2.71
    ethylene glycol 11.72
    NMP 67.11
    cyclohexane 5.55
    DMSO 88.44
    n-butyl acetate 98.75
    n-octanol 23.51
    chloroform 156.3
    n-propyl acetate 50.65
    acetic acid 35.19
    dichloromethane 108.27
    cyclohexanone 132.03
    propylene glycol 15.72
    isopropyl acetate 111.32
    DMAc 146.58
    2-ethoxyethanol 97.07
    isopentanol 101.95
    n-heptane 3.1
    ethyl formate 38.45
    1,2-dichloroethane 97.22
    n-hexanol 98.55
    2-methoxyethanol 241.4
    isobutyl acetate 51.04
    tetrachloromethane 25.35
    n-pentyl acetate 73.37
    transcutol 229.75
    n-heptanol 49.34
    ethylbenzene 28.88
    MIBK 94.53
    2-propoxyethanol 241.61
    tert-butanol 156.95
    MTBE 154.35
    2-butoxyethanol 113.45
    propionic acid 28.15
    o-xylene 35.71
    formic acid 14.43
    diethyl ether 181.11
    m-xylene 62.45
    p-xylene 32.81
    chlorobenzene 59.35
    dimethyl carbonate 54.85
    n-octane 1.93
    formamide 33.46
    cyclopentanone 180.45
    2-pentanone 126.64
    anisole 73.03
    cyclopentyl methyl ether 163.01
    gamma-butyrolactone 143.15
    1-methoxy-2-propanol 223.26
    pyridine 135.56
    3-pentanone 71.93
    furfural 105.62
    n-dodecane 1.17
    diethylene glycol 123.74
    diisopropyl ether 43.03
    tert-amyl alcohol 59.93
    acetylacetone 123.36
    n-hexadecane 1.43
    acetophenone 52.87
    methyl propionate 87.65
    isopentyl acetate 109.07
    trichloroethylene 150.56
    n-nonanol 25.74
    cyclohexanol 55.74
    benzyl alcohol 49.56
    2-ethylhexanol 38.74
    isooctanol 40.08
    dipropyl ether 63.77
    1,2-dichlorobenzene 50.18
    ethyl lactate 27.23
    propylene carbonate 64.49
    n-methylformamide 98.12
    2-pentanol 63.4
    n-pentane 4.47
    1-propoxy-2-propanol 140.05
    1-methoxy-2-propyl acetate 149.39
    2-(2-methoxypropoxy) propanol 68.65
    mesitylene 34.77
    ε-caprolactone 94.68
    p-cymene 21.93
    epichlorohydrin 217.31
    1,1,1-trichloroethane 73.45
    2-aminoethanol 41.74
    morpholine-4-carbaldehyde 169.08
    sulfolane 110.82
    2,2,4-trimethylpentane 2.8
    2-methyltetrahydrofuran 166.12
    n-hexyl acetate 64.41
    isooctane 4.14
    2-(2-butoxyethoxy)ethanol 108.6
    sec-butyl acetate 47.07
    tert-butyl acetate 129.99
    decalin 3.67
    glycerin 29.48
    diglyme 202.3
    acrylic acid 21.86
    isopropyl myristate 26.65
    n-butyric acid 79.58
    acetyl acetate 56.0
    di(2-ethylhexyl) phthalate 29.99
    ethyl propionate 50.24
    nitromethane 65.72
    1,2-diethoxyethane 122.33
    benzonitrile 44.15
    trioctyl phosphate 23.86
    1-bromopropane 57.56
    gamma-valerolactone 245.71
    n-decanol 18.87
    triethyl phosphate 29.32
    4-methyl-2-pentanol 48.84
    propionitrile 58.15
    vinylene carbonate 63.21
    1,1,2-trichlorotrifluoroethane 84.14
    DMS 56.62
    cumene 21.97
    2-octanol 25.9
    2-hexanone 48.63
    octyl acetate 31.84
    limonene 23.31
    1,2-dimethoxyethane 202.29
    ethyl orthosilicate 33.21
    tributyl phosphate 23.69
    diacetone alcohol 114.03
    N,N-dimethylaniline 50.82
    acrylonitrile 58.85
    aniline 78.8
    1,3-propanediol 107.3
    bromobenzene 58.08
    dibromomethane 74.3
    1,1,2,2-tetrachloroethane 122.41
    2-methyl-cyclohexyl acetate 48.99
    tetrabutyl urea 33.4
    diisobutyl methanol 30.4
    2-phenylethanol 85.11
    styrene 30.54
    dioctyl adipate 33.01
    dimethyl sulfate 65.01
    ethyl butyrate 56.39
    methyl lactate 42.12
    butyl lactate 51.42
    diethyl carbonate 34.29
    propanediol butyl ether 58.92
    triethyl orthoformate 48.91
    p-tert-butyltoluene 25.8
    methyl 4-tert-butylbenzoate 67.95
    morpholine 347.98
    tert-butylamine 80.17
    n-dodecanol 13.4
    dimethoxymethane 397.95
    ethylene carbonate 62.62
    cyrene 61.24
    2-ethoxyethyl acetate 113.21
    2-ethylhexyl acetate 74.06
    1,2,4-trichlorobenzene 54.75
    4-methylpyridine 125.65
    dibutyl ether 30.57
    2,6-dimethyl-4-heptanol 30.4
    DEF 91.33
    dimethyl isosorbide 131.45
    tetrachloroethylene 80.88
    eugenol 70.5
    triacetin 51.77
    span 80 53.87
    1,4-butanediol 20.07
    1,1-dichloroethane 86.42
    2-methyl-1-pentanol 39.11
    methyl formate 56.9
    2-methyl-1-butanol 64.44
    n-decane 2.38
    butyronitrile 67.77
    3,7-dimethyl-1-octanol 27.9
    1-chlorooctane 13.06
    1-chlorotetradecane 4.74
    n-nonane 1.98
    undecane 1.63
    tert-butylcyclohexane 4.15
    cyclooctane 2.44
    cyclopentanol 55.53
    tetrahydropyran 273.59
    tert-amyl methyl ether 64.88
    2,5,8-trioxanonane 111.98
    1-hexene 13.57
    2-isopropoxyethanol 70.52
    2,2,2-trifluoroethanol 16.16
    methyl butyrate 53.47

    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