Dolabradiene

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  • Identifiers

    CAS number
    3650-13-3

    Molecular formula
    C20H32

    SMILES
    C[C@@]1(CC[C@@]2([C@@H](C1)CC[C@]3([C@H]2CCCC3=C)C)C)C=C

    Safety labels

  • Odor profile

    Fragrance
    Woody 75.64%
    Sweet 58.6%
    Green 55.88%
    Citrus 43.47%
    Herbal 42.39%
    Fresh 42.19%
    Terpenic 41.7%
    Spicy 39.99%
    Dry 38.63%
    Oily 38.08%

     

    Flavor
    Woody 50.86%
    Wood 38.72%
    Sweet 38.62%
    Dry 34.83%
    Camphor 30.14%
    Fir needle 28.5%
    Pine 25.99%
    Spice 25.64%
    Balsamic 24.31%
    Herb 23.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    9.08 (weak base)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 159.8 ˚C est.

  • Synonyms

    • Dolabradiene
    • 3650-13-3
    • (4aS,4bR,7S,8aR,10aS)-7-Ethenyl-4b,7,10a-trimethyl-1-methylidenetetradecahydrophenanthrene
    • SCHEMBL29799387
    • CHEBI:141822
    • DTXSID301124197
    • C22008
    • Q67879855
    • (4aS,4bR,7S,8aR,10aS)-4b,7,10a-trimethyl-1-methylene-7-vinyltetradecahydrophenanthrene
    • (4aS,4bR,7S,8aR,10aS)-7-Ethenyltetradecahydro-4b,7,10a-trimethyl-1-methylenephenanthrene
    • (2S,4aR,4bS,8aS,10aR)-2-ethenyl-2,4a,8a-trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene
    • 3650-13-3

  • Applications

    Dolabradiene (CAS 3650-13-3) is a sesquiterpene encountered in plant resins and essential oils that is typically treated as a natural odorant or fragrance ingredient; it may also be used as an intermediate in the synthesis of sesquiterpene derivatives for perfumery and cosmetics. In addition, it can be evaluated for flavor/aroma applications in research settings, and serves as a building block in terpene chemistry for exploratory synthesis of related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.49
    methanol 29.17
    isopropanol 134.33
    water 0.06
    ethyl acetate 321.04
    n-propanol 130.66
    acetone 247.8
    n-butanol 181.38
    acetonitrile 72.38
    DMF 300.94
    toluene 696.3
    isobutanol 124.12
    1,4-dioxane 579.13
    methyl acetate 179.57
    THF 1206.55
    2-butanone 281.68
    n-pentanol 75.21
    sec-butanol 96.03
    n-hexane 46.88
    ethylene glycol 4.54
    NMP 185.16
    cyclohexane 140.8
    DMSO 79.81
    n-butyl acetate 371.0
    n-octanol 91.77
    chloroform 481.0
    n-propyl acetate 159.73
    acetic acid 33.8
    dichloromethane 322.73
    cyclohexanone 485.18
    propylene glycol 11.84
    isopropyl acetate 351.78
    DMAc 264.19
    2-ethoxyethanol 89.48
    isopentanol 186.0
    n-heptane 72.42
    ethyl formate 78.31
    1,2-dichloroethane 260.71
    n-hexanol 204.51
    2-methoxyethanol 153.45
    isobutyl acetate 178.51
    tetrachloromethane 116.72
    n-pentyl acetate 246.42
    transcutol 708.16
    n-heptanol 113.82
    ethylbenzene 212.61
    MIBK 313.15
    2-propoxyethanol 288.15
    tert-butanol 178.21
    MTBE 406.32
    2-butoxyethanol 176.37
    propionic acid 50.28
    o-xylene 298.52
    formic acid 5.4
    diethyl ether 474.1
    m-xylene 462.82
    p-xylene 235.62
    chlorobenzene 294.13
    dimethyl carbonate 123.06
    n-octane 25.08
    formamide 14.31
    cyclopentanone 521.16
    2-pentanone 362.81
    anisole 303.3
    cyclopentyl methyl ether 596.25
    gamma-butyrolactone 325.32
    1-methoxy-2-propanol 210.53
    pyridine 471.94
    3-pentanone 276.59
    furfural 230.64
    n-dodecane 14.23
    diethylene glycol 90.12
    diisopropyl ether 240.68
    tert-amyl alcohol 118.83
    acetylacetone 384.43
    n-hexadecane 17.9
    acetophenone 219.64
    methyl propionate 232.12
    isopentyl acetate 429.03
    trichloroethylene 426.23
    n-nonanol 101.0
    cyclohexanol 178.8
    benzyl alcohol 121.57
    2-ethylhexanol 163.82
    isooctanol 112.27
    dipropyl ether 399.37
    1,2-dichlorobenzene 260.52
    ethyl lactate 60.19
    propylene carbonate 189.9
    n-methylformamide 58.32
    2-pentanol 139.37
    n-pentane 76.48
    1-propoxy-2-propanol 293.8
    1-methoxy-2-propyl acetate 452.04
    2-(2-methoxypropoxy) propanol 198.71
    mesitylene 307.31
    ε-caprolactone 354.45
    p-cymene 179.26
    epichlorohydrin 382.78
    1,1,1-trichloroethane 322.73
    2-aminoethanol 18.11
    morpholine-4-carbaldehyde 329.08
    sulfolane 240.58
    2,2,4-trimethylpentane 34.98
    2-methyltetrahydrofuran 553.28
    n-hexyl acetate 293.91
    isooctane 45.99
    2-(2-butoxyethoxy)ethanol 276.52
    sec-butyl acetate 180.02
    tert-butyl acetate 441.97
    decalin 60.34
    glycerin 20.31
    diglyme 548.27
    acrylic acid 33.14
    isopropyl myristate 151.14
    n-butyric acid 143.11
    acetyl acetate 204.79
    di(2-ethylhexyl) phthalate 110.3
    ethyl propionate 189.64
    nitromethane 81.48
    1,2-diethoxyethane 451.16
    benzonitrile 180.8
    trioctyl phosphate 85.89
    1-bromopropane 270.65
    gamma-valerolactone 525.15
    n-decanol 73.08
    triethyl phosphate 129.08
    4-methyl-2-pentanol 138.72
    propionitrile 148.57
    vinylene carbonate 173.08
    1,1,2-trichlorotrifluoroethane 134.57
    DMS 217.08
    cumene 143.56
    2-octanol 81.27
    2-hexanone 167.64
    octyl acetate 156.27
    limonene 212.33
    1,2-dimethoxyethane 327.15
    ethyl orthosilicate 139.69
    tributyl phosphate 98.77
    diacetone alcohol 244.16
    N,N-dimethylaniline 215.59
    acrylonitrile 112.29
    aniline 277.25
    1,3-propanediol 63.33
    bromobenzene 389.49
    dibromomethane 259.09
    1,1,2,2-tetrachloroethane 351.06
    2-methyl-cyclohexyl acetate 229.59
    tetrabutyl urea 128.91
    diisobutyl methanol 143.85
    2-phenylethanol 227.65
    styrene 230.8
    dioctyl adipate 168.4
    dimethyl sulfate 125.24
    ethyl butyrate 278.87
    methyl lactate 69.75
    butyl lactate 134.96
    diethyl carbonate 159.99
    propanediol butyl ether 111.11
    triethyl orthoformate 229.27
    p-tert-butyltoluene 196.72
    methyl 4-tert-butylbenzoate 269.47
    morpholine 548.69
    tert-butylamine 167.04
    n-dodecanol 55.11
    dimethoxymethane 447.12
    ethylene carbonate 171.69
    cyrene 129.57
    2-ethoxyethyl acetate 322.95
    2-ethylhexyl acetate 343.95
    1,2,4-trichlorobenzene 270.39
    4-methylpyridine 507.72
    dibutyl ether 231.85
    2,6-dimethyl-4-heptanol 143.85
    DEF 279.49
    dimethyl isosorbide 403.87
    tetrachloroethylene 218.03
    eugenol 189.38
    triacetin 243.64
    span 80 164.35
    1,4-butanediol 14.69
    1,1-dichloroethane 281.55
    2-methyl-1-pentanol 87.19
    methyl formate 47.25
    2-methyl-1-butanol 140.46
    n-decane 29.56
    butyronitrile 184.78
    3,7-dimethyl-1-octanol 137.77
    1-chlorooctane 103.18
    1-chlorotetradecane 43.11
    n-nonane 27.86
    undecane 19.75
    tert-butylcyclohexane 54.36
    cyclooctane 70.43
    cyclopentanol 136.73
    tetrahydropyran 779.96
    tert-amyl methyl ether 249.93
    2,5,8-trioxanonane 325.21
    1-hexene 116.42
    2-isopropoxyethanol 96.1
    2,2,2-trifluoroethanol 18.56
    methyl butyrate 188.91

    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