[(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] acetate

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  • Identifiers

    CAS number
    15340-79-1

    Molecular formula
    C22H32O2

    SMILES
    CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 71.33%
    Musk 61.78%
    Amber 54.56%
    Dry 49.25%
    Powdery 43.23%
    Sweet 41.8%
    Spicy 39.52%
    Balsamic 39.47%
    Fruity 35.74%
    Cedar 34.6%

     

    Flavor
    Woody 71.17%
    Camphor 41.16%
    Sweet 36.39%
    Herbal 30.15%
    Pine 29.93%
    Wood 29.78%
    Dry 28.42%
    Balsam 27.15%
    Spice 25.46%
    Powdery 25.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    8.1 (weak base)

    Molecular weight
    328.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 192.62 ˚C est.

  • Synonyms

    • 12-O-Acetylferruginol
    • [(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] acetate
    • 15340-79-1
    • CHEMBL3343795
    • 13-Acetoxytotara-8,11,13-triene
    • [(4bS,8aS)-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] acetate
    • 15340-79-1

  • Applications

    [(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] acetate (CAS 15340-79-1) is primarily used as a fragrance ingredient and odorant, contributing woody notes and functioning as a potential fixative in perfumery and cosmetics; it may be evaluated as a flavor/aroma component in select formulations; in household products, it can serve as a scent additive in air fresheners and cleaners; in industrial manufacturing, it can act as an intermediate for fragrance or pharmaceutical syntheses; and in polymers or coatings, it may be explored as a specialty fragrance additive or scent carrier under appropriate regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 240.92
    methanol 136.82
    isopropanol 211.84
    water 0.16
    ethyl acetate 598.48
    n-propanol 337.39
    acetone 540.13
    n-butanol 345.54
    acetonitrile 202.24
    DMF 1145.01
    toluene 896.93
    isobutanol 304.17
    1,4-dioxane 1044.29
    methyl acetate 438.03
    THF 1531.93
    2-butanone 610.82
    n-pentanol 195.15
    sec-butanol 227.75
    n-hexane 52.65
    ethylene glycol 24.11
    NMP 1161.8
    cyclohexane 122.1
    DMSO 255.89
    n-butyl acetate 470.84
    n-octanol 76.67
    chloroform 1544.67
    n-propyl acetate 302.9
    acetic acid 180.35
    dichloromethane 1315.83
    cyclohexanone 1084.85
    propylene glycol 54.09
    isopropyl acetate 506.39
    DMAc 1016.68
    2-ethoxyethanol 241.24
    isopentanol 334.96
    n-heptane 20.42
    ethyl formate 216.79
    1,2-dichloroethane 1077.66
    n-hexanol 303.98
    2-methoxyethanol 414.18
    isobutyl acetate 287.42
    tetrachloromethane 192.41
    n-pentyl acetate 314.54
    transcutol 1030.92
    n-heptanol 115.52
    ethylbenzene 238.37
    MIBK 436.34
    2-propoxyethanol 590.82
    tert-butanol 240.81
    MTBE 578.65
    2-butoxyethanol 272.77
    propionic acid 209.86
    o-xylene 372.56
    formic acid 46.69
    diethyl ether 724.47
    m-xylene 494.66
    p-xylene 291.32
    chlorobenzene 759.49
    dimethyl carbonate 341.66
    n-octane 7.6
    formamide 88.47
    cyclopentanone 1120.27
    2-pentanone 647.32
    anisole 408.22
    cyclopentyl methyl ether 997.03
    gamma-butyrolactone 964.31
    1-methoxy-2-propanol 454.88
    pyridine 975.09
    3-pentanone 575.29
    furfural 698.21
    n-dodecane 4.62
    diethylene glycol 237.5
    diisopropyl ether 231.36
    tert-amyl alcohol 222.19
    acetylacetone 628.15
    n-hexadecane 5.95
    acetophenone 361.66
    methyl propionate 613.78
    isopentyl acetate 501.0
    trichloroethylene 1767.46
    n-nonanol 80.43
    cyclohexanol 425.0
    benzyl alcohol 266.3
    2-ethylhexanol 172.7
    isooctanol 103.7
    dipropyl ether 250.1
    1,2-dichlorobenzene 591.1
    ethyl lactate 133.62
    propylene carbonate 523.41
    n-methylformamide 303.8
    2-pentanol 239.78
    n-pentane 58.88
    1-propoxy-2-propanol 368.54
    1-methoxy-2-propyl acetate 630.93
    2-(2-methoxypropoxy) propanol 232.63
    mesitylene 247.75
    ε-caprolactone 880.5
    p-cymene 121.95
    epichlorohydrin 1306.75
    1,1,1-trichloroethane 798.74
    2-aminoethanol 93.16
    morpholine-4-carbaldehyde 1101.21
    sulfolane 841.39
    2,2,4-trimethylpentane 31.8
    2-methyltetrahydrofuran 1114.91
    n-hexyl acetate 364.17
    isooctane 24.38
    2-(2-butoxyethoxy)ethanol 321.33
    sec-butyl acetate 306.45
    tert-butyl acetate 535.79
    decalin 47.48
    glycerin 80.61
    diglyme 670.91
    acrylic acid 164.81
    isopropyl myristate 119.4
    n-butyric acid 369.98
    acetyl acetate 374.55
    di(2-ethylhexyl) phthalate 133.85
    ethyl propionate 317.19
    nitromethane 351.15
    1,2-diethoxyethane 456.56
    benzonitrile 380.49
    trioctyl phosphate 84.51
    1-bromopropane 673.6
    gamma-valerolactone 1463.35
    n-decanol 53.69
    triethyl phosphate 143.73
    4-methyl-2-pentanol 173.87
    propionitrile 308.39
    vinylene carbonate 487.31
    1,1,2-trichlorotrifluoroethane 574.03
    DMS 440.7
    cumene 146.3
    2-octanol 70.78
    2-hexanone 311.36
    octyl acetate 152.09
    limonene 179.05
    1,2-dimethoxyethane 500.13
    ethyl orthosilicate 151.86
    tributyl phosphate 110.43
    diacetone alcohol 384.82
    N,N-dimethylaniline 292.31
    acrylonitrile 308.47
    aniline 628.47
    1,3-propanediol 179.45
    bromobenzene 856.55
    dibromomethane 884.6
    1,1,2,2-tetrachloroethane 1390.64
    2-methyl-cyclohexyl acetate 263.07
    tetrabutyl urea 146.16
    diisobutyl methanol 90.97
    2-phenylethanol 341.32
    styrene 303.45
    dioctyl adipate 174.53
    dimethyl sulfate 427.33
    ethyl butyrate 263.56
    methyl lactate 206.78
    butyl lactate 211.27
    diethyl carbonate 176.07
    propanediol butyl ether 176.52
    triethyl orthoformate 222.69
    p-tert-butyltoluene 126.68
    methyl 4-tert-butylbenzoate 295.15
    morpholine 1276.47
    tert-butylamine 192.62
    n-dodecanol 38.42
    dimethoxymethane 928.08
    ethylene carbonate 458.64
    cyrene 257.83
    2-ethoxyethyl acetate 510.7
    2-ethylhexyl acetate 425.54
    1,2,4-trichlorobenzene 678.23
    4-methylpyridine 1157.37
    dibutyl ether 148.78
    2,6-dimethyl-4-heptanol 90.97
    DEF 881.79
    dimethyl isosorbide 486.33
    tetrachloroethylene 764.25
    eugenol 257.33
    triacetin 325.46
    span 80 199.02
    1,4-butanediol 59.44
    1,1-dichloroethane 891.59
    2-methyl-1-pentanol 214.71
    methyl formate 210.72
    2-methyl-1-butanol 332.57
    n-decane 9.89
    butyronitrile 340.79
    3,7-dimethyl-1-octanol 105.45
    1-chlorooctane 78.2
    1-chlorotetradecane 25.8
    n-nonane 8.79
    undecane 6.37
    tert-butylcyclohexane 37.28
    cyclooctane 38.01
    cyclopentanol 353.24
    tetrahydropyran 1364.39
    tert-amyl methyl ether 418.83
    2,5,8-trioxanonane 370.92
    1-hexene 188.12
    2-isopropoxyethanol 213.58
    2,2,2-trifluoroethanol 94.5
    methyl butyrate 357.74

    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