ent-Cassa-12,15-diene

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  • Identifiers

    CAS number
    664996-03-6

    Molecular formula
    C20H32

    SMILES
    C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2CC=C1C=C)(CCCC3(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.82%
    Sweet 51.07%
    Spicy 45.99%
    Green 43.12%
    Herbal 41.78%
    Dry 40.52%
    Fresh 39.85%
    Amber 37.19%
    Cedar 37.0%
    Oily 36.34%

     

    Flavor
    Woody 70.1%
    Wood 53.71%
    Sweet 51.39%
    Spice 40.75%
    Herbal 35.81%
    Herb 33.49%
    Dry 32.99%
    Balsamic 32.04%
    Pine 31.62%
    Balsam 30.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    9.54 (weak base)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    356°C

    Flash point

    • 170.69 ˚C est.

  • Synonyms

    • ent-cassa-12,15-diene
    • CHEBI:50060
    • 5beta,8alpha,9beta,10alpha,14beta-13-ethenyl-14-methylpodocarp-12-ene
    • 5beta,8alpha,9beta,10alpha,14beta-14-methyl-13-vinylpodocarp-12-ene
    • RefChem:137018
    • 5b,8a,9b,10a,14b-14-Methyl-13-vinylpodocarp-12-ene
    • 664996-03-6
    • (1S,4aR,4bS,8aR,10aR)-2-ethenyl-1,4b,8,8-tetramethyl-1,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthrene
    • SCHEMBL716139
    • LMPR0104120001
    • C18226
    • Q27121879
    • 664996-03-6

  • Applications

    ent-Cassa-12,15-diene (CAS 664996-03-6) is primarily regarded as a synthetic intermediate and chiral scaffold for cassane-type diterpenoids in organic synthesis; it is commonly evaluated as a building block for derivatives in pharmaceutical and agrochemical research. It may serve as a fragrance ingredient or odorant precursor in perfumery and cosmetic/personal care formulations. In industrial manufacturing, it supports synthesis routes to access complex natural-product frameworks and related materials. The compound is of interest as a scaffold for functionalization and exploration of natural-product–based drug discovery and the development of lead compounds for agricultural applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.97
    methanol 56.14
    isopropanol 200.67
    water 0.08
    ethyl acetate 574.07
    n-propanol 239.51
    acetone 440.47
    n-butanol 336.64
    acetonitrile 132.95
    DMF 430.4
    toluene 1504.71
    isobutanol 238.75
    1,4-dioxane 1062.33
    methyl acetate 289.57
    THF 2348.03
    2-butanone 500.32
    n-pentanol 136.7
    sec-butanol 175.4
    n-hexane 161.54
    ethylene glycol 6.15
    NMP 429.09
    cyclohexane 558.79
    DMSO 113.19
    n-butyl acetate 676.12
    n-octanol 131.03
    chloroform 789.91
    n-propyl acetate 257.08
    acetic acid 67.37
    dichloromethane 642.43
    cyclohexanone 1048.25
    propylene glycol 14.28
    isopropyl acetate 607.28
    DMAc 380.02
    2-ethoxyethanol 121.82
    isopentanol 362.66
    n-heptane 191.13
    ethyl formate 127.51
    1,2-dichloroethane 582.67
    n-hexanol 381.73
    2-methoxyethanol 220.53
    isobutyl acetate 269.51
    tetrachloromethane 236.77
    n-pentyl acetate 392.67
    transcutol 967.9
    n-heptanol 179.33
    ethylbenzene 349.3
    MIBK 565.58
    2-propoxyethanol 454.32
    tert-butanol 262.41
    MTBE 791.97
    2-butoxyethanol 251.63
    propionic acid 88.46
    o-xylene 557.59
    formic acid 9.51
    diethyl ether 1146.82
    m-xylene 909.97
    p-xylene 384.03
    chlorobenzene 593.2
    dimethyl carbonate 196.77
    n-octane 52.33
    formamide 20.37
    cyclopentanone 1008.09
    2-pentanone 704.34
    anisole 414.21
    cyclopentyl methyl ether 1376.11
    gamma-butyrolactone 650.22
    1-methoxy-2-propanol 277.07
    pyridine 914.06
    3-pentanone 583.68
    furfural 378.11
    n-dodecane 25.03
    diethylene glycol 112.46
    diisopropyl ether 532.63
    tert-amyl alcohol 204.62
    acetylacetone 607.36
    n-hexadecane 31.55
    acetophenone 282.64
    methyl propionate 424.11
    isopentyl acetate 774.94
    trichloroethylene 823.86
    n-nonanol 140.8
    cyclohexanol 409.52
    benzyl alcohol 160.13
    2-ethylhexanol 313.92
    isooctanol 171.97
    dipropyl ether 797.97
    1,2-dichlorobenzene 446.06
    ethyl lactate 79.33
    propylene carbonate 336.04
    n-methylformamide 95.18
    2-pentanol 273.51
    n-pentane 270.61
    1-propoxy-2-propanol 424.05
    1-methoxy-2-propyl acetate 714.15
    2-(2-methoxypropoxy) propanol 248.55
    mesitylene 584.42
    ε-caprolactone 721.26
    p-cymene 290.88
    epichlorohydrin 766.08
    1,1,1-trichloroethane 640.18
    2-aminoethanol 26.49
    morpholine-4-carbaldehyde 516.46
    sulfolane 418.37
    2,2,4-trimethylpentane 102.37
    2-methyltetrahydrofuran 1381.59
    n-hexyl acetate 451.99
    isooctane 117.11
    2-(2-butoxyethoxy)ethanol 338.17
    sec-butyl acetate 287.67
    tert-butyl acetate 704.59
    decalin 142.74
    glycerin 25.13
    diglyme 726.95
    acrylic acid 55.57
    isopropyl myristate 204.85
    n-butyric acid 275.81
    acetyl acetate 329.06
    di(2-ethylhexyl) phthalate 144.0
    ethyl propionate 306.45
    nitromethane 124.45
    1,2-diethoxyethane 719.2
    benzonitrile 278.34
    trioctyl phosphate 116.23
    1-bromopropane 677.02
    gamma-valerolactone 909.85
    n-decanol 100.01
    triethyl phosphate 196.2
    4-methyl-2-pentanol 232.42
    propionitrile 264.96
    vinylene carbonate 292.31
    1,1,2-trichlorotrifluoroethane 222.19
    DMS 324.19
    cumene 219.54
    2-octanol 118.32
    2-hexanone 277.5
    octyl acetate 215.91
    limonene 414.04
    1,2-dimethoxyethane 442.74
    ethyl orthosilicate 227.31
    tributyl phosphate 140.7
    diacetone alcohol 362.7
    N,N-dimethylaniline 289.7
    acrylonitrile 184.68
    aniline 518.59
    1,3-propanediol 94.36
    bromobenzene 786.98
    dibromomethane 562.32
    1,1,2,2-tetrachloroethane 626.83
    2-methyl-cyclohexyl acetate 363.49
    tetrabutyl urea 172.88
    diisobutyl methanol 240.64
    2-phenylethanol 324.22
    styrene 374.58
    dioctyl adipate 227.21
    dimethyl sulfate 191.59
    ethyl butyrate 463.26
    methyl lactate 92.32
    butyl lactate 193.77
    diethyl carbonate 256.99
    propanediol butyl ether 122.89
    triethyl orthoformate 386.65
    p-tert-butyltoluene 318.85
    methyl 4-tert-butylbenzoate 349.58
    morpholine 1026.73
    tert-butylamine 302.92
    n-dodecanol 74.85
    dimethoxymethane 733.29
    ethylene carbonate 306.01
    cyrene 172.09
    2-ethoxyethyl acetate 493.07
    2-ethylhexyl acetate 653.81
    1,2,4-trichlorobenzene 458.07
    4-methylpyridine 977.05
    dibutyl ether 384.89
    2,6-dimethyl-4-heptanol 240.64
    DEF 558.06
    dimethyl isosorbide 535.05
    tetrachloroethylene 409.86
    eugenol 231.06
    triacetin 318.04
    span 80 208.33
    1,4-butanediol 20.39
    1,1-dichloroethane 574.33
    2-methyl-1-pentanol 166.19
    methyl formate 74.45
    2-methyl-1-butanol 318.46
    n-decane 53.26
    butyronitrile 339.61
    3,7-dimethyl-1-octanol 199.15
    1-chlorooctane 177.57
    1-chlorotetradecane 69.48
    n-nonane 51.55
    undecane 34.88
    tert-butylcyclohexane 121.0
    cyclooctane 242.09
    cyclopentanol 274.89
    tetrahydropyran 2001.01
    tert-amyl methyl ether 530.21
    2,5,8-trioxanonane 415.78
    1-hexene 306.42
    2-isopropoxyethanol 130.11
    2,2,2-trifluoroethanol 30.36
    methyl butyrate 305.3

    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