Amorpha-4,11-diene

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  • Identifiers

    CAS number
    92692-39-2

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 73.2%
    Herbal 56.07%
    Spicy 54.4%
    Citrus 50.22%
    Fresh 46.04%
    Terpenic 44.37%
    Sweet 41.98%
    Pine 35.23%
    Green 34.82%
    Oily 34.44%

     

    Flavor
    Woody 59.9%
    Wood 53.04%
    Herbal 50.24%
    Spice 47.34%
    Herb 43.64%
    Terpene 29.14%
    Fresh 28.52%
    Mint 28.24%
    Green 28.08%
    Turpentine 27.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    9.52 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 96.06 ˚C est.

  • Synonyms

    • Amorpha-4,11-diene
    • (1R,4R,4aS,8aR)-4,7-dimethyl-1-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
    • CHEBI:52026
    • (1R,4R,4aS,8aR)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
    • RefChem:112252
    • amorphadiene
    • 92692-39-2
    • (+)-amorpha-4,11-diene
    • (-)-Amorpha-4,11-diene
    • (1R,4R,4aS,8aR)-1,2,3,4,4a,5,6,8a-Octahydro-4,7-dimethyl-1-(1-methylethenyl)naphthalene
    • Amorph Adiene
    • Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-1-(1-methylethenyl)-, (1R,4R,4aS,8aR)-; Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-1-(1-methylethenyl)-, [1R-(1a,4ss,4ass,8ass)]-; (1R,4R,4aS,8aR)-1,2,3,4,4a,5,6,8a-Octahydro-4,7-dimethyl-1-(1-methylethenyl)naphthalene; (-)-Amorpha-4,11-diene; Amorpha-4,11-diene; Amorphadiene
    • KXF4QEW628
    • SCHEMBL336854
    • orb2802255
    • DTXSID50239106
    • Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-1-(1-methylethenyl)-, (1R,4R,4aS,8aR)-
    • LMPR0103330005
    • (1R,4R,4aS,8aR)-1-isopropenyl-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
    • XA164865
    • CS-0640859
    • H53200
    • Q4747721
    • (1R,4R,4aS,8aR)-1,2,3,4,4a,5,6,8a-Octahydro-4,7-dimethyl-1-1-methylethenyl)naphthalene
    • 1,2,3,4,4a,5,6,8a-Octahydro-4,7-dimethyl-1-(1-methylethenyl)naphthalene, (1R,4R,4aS,8aR)-
    • SJA
    • 92692-39-2

  • Applications

    Amorpha-4,11-diene (CAS 92692-39-2) is a sesquiterpene hydrocarbon used primarily as an intermediate in the industrial synthesis of artemisinin, enabling oxidation to artemisinic acid and related steps for semi-synthetic production of the antimalarial drug. It also serves as a versatile building block in terpenoid chemistry for research and development, including potential biotechnological routes such as engineered yeast production of artemisinic acid. In addition, the compound is sometimes evaluated for fragrance applications as an odorant in perfumery, reflecting its terpene-derived aroma. Overall, it functions as a foundational starting point for further semi-synthetic transformations in chemical manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 287.15
    methanol 95.61
    isopropanol 372.71
    water 0.03
    ethyl acetate 628.45
    n-propanol 353.29
    acetone 521.81
    n-butanol 453.92
    acetonitrile 271.47
    DMF 285.86
    toluene 1062.85
    isobutanol 289.05
    1,4-dioxane 1479.31
    methyl acetate 404.87
    THF 2544.51
    2-butanone 637.02
    n-pentanol 249.67
    sec-butanol 331.94
    n-hexane 229.65
    ethylene glycol 10.49
    NMP 262.76
    cyclohexane 590.47
    DMSO 228.98
    n-butyl acetate 1235.91
    n-octanol 293.22
    chloroform 1240.75
    n-propyl acetate 367.44
    acetic acid 105.86
    dichloromethane 1152.04
    cyclohexanone 955.8
    propylene glycol 33.65
    isopropyl acetate 498.63
    DMAc 271.06
    2-ethoxyethanol 183.09
    isopentanol 420.11
    n-heptane 500.15
    ethyl formate 247.75
    1,2-dichloroethane 704.55
    n-hexanol 764.5
    2-methoxyethanol 279.32
    isobutyl acetate 310.08
    tetrachloromethane 278.96
    n-pentyl acetate 460.01
    transcutol 1196.72
    n-heptanol 276.16
    ethylbenzene 375.36
    MIBK 444.98
    2-propoxyethanol 602.1
    tert-butanol 484.71
    MTBE 863.68
    2-butoxyethanol 297.77
    propionic acid 127.11
    o-xylene 410.61
    formic acid 9.33
    diethyl ether 1035.39
    m-xylene 593.79
    p-xylene 414.49
    chlorobenzene 599.16
    dimethyl carbonate 113.15
    n-octane 120.27
    formamide 23.47
    cyclopentanone 935.86
    2-pentanone 643.66
    anisole 448.94
    cyclopentyl methyl ether 979.77
    gamma-butyrolactone 634.55
    1-methoxy-2-propanol 344.42
    pyridine 1080.42
    3-pentanone 460.73
    furfural 397.71
    n-dodecane 71.61
    diethylene glycol 170.68
    diisopropyl ether 387.91
    tert-amyl alcohol 346.67
    acetylacetone 499.07
    n-hexadecane 85.83
    acetophenone 314.09
    methyl propionate 343.97
    isopentyl acetate 979.03
    trichloroethylene 1011.67
    n-nonanol 269.69
    cyclohexanol 503.39
    benzyl alcohol 226.79
    2-ethylhexanol 593.27
    isooctanol 239.08
    dipropyl ether 1209.04
    1,2-dichlorobenzene 405.2
    ethyl lactate 96.8
    propylene carbonate 389.2
    n-methylformamide 97.52
    2-pentanol 351.72
    n-pentane 264.95
    1-propoxy-2-propanol 638.94
    1-methoxy-2-propyl acetate 680.85
    2-(2-methoxypropoxy) propanol 334.08
    mesitylene 370.99
    ε-caprolactone 646.08
    p-cymene 401.07
    epichlorohydrin 867.75
    1,1,1-trichloroethane 750.95
    2-aminoethanol 42.72
    morpholine-4-carbaldehyde 409.18
    sulfolane 400.38
    2,2,4-trimethylpentane 96.49
    2-methyltetrahydrofuran 1687.19
    n-hexyl acetate 594.87
    isooctane 111.36
    2-(2-butoxyethoxy)ethanol 462.67
    sec-butyl acetate 298.3
    tert-butyl acetate 539.11
    decalin 158.33
    glycerin 38.22
    diglyme 844.01
    acrylic acid 65.23
    isopropyl myristate 291.13
    n-butyric acid 380.34
    acetyl acetate 313.32
    di(2-ethylhexyl) phthalate 196.51
    ethyl propionate 305.54
    nitromethane 169.37
    1,2-diethoxyethane 1044.43
    benzonitrile 405.49
    trioctyl phosphate 153.42
    1-bromopropane 882.02
    gamma-valerolactone 789.77
    n-decanol 210.81
    triethyl phosphate 189.68
    4-methyl-2-pentanol 245.7
    propionitrile 401.16
    vinylene carbonate 306.99
    1,1,2-trichlorotrifluoroethane 215.39
    DMS 266.0
    cumene 230.2
    2-octanol 203.91
    2-hexanone 412.25
    octyl acetate 324.11
    limonene 597.06
    1,2-dimethoxyethane 645.56
    ethyl orthosilicate 216.08
    tributyl phosphate 183.17
    diacetone alcohol 348.23
    N,N-dimethylaniline 278.71
    acrylonitrile 257.99
    aniline 481.52
    1,3-propanediol 128.95
    bromobenzene 758.22
    dibromomethane 969.9
    1,1,2,2-tetrachloroethane 731.94
    2-methyl-cyclohexyl acetate 427.78
    tetrabutyl urea 237.19
    diisobutyl methanol 369.61
    2-phenylethanol 413.04
    styrene 423.47
    dioctyl adipate 299.37
    dimethyl sulfate 104.28
    ethyl butyrate 664.32
    methyl lactate 84.63
    butyl lactate 214.68
    diethyl carbonate 333.06
    propanediol butyl ether 208.22
    triethyl orthoformate 439.1
    p-tert-butyltoluene 398.18
    methyl 4-tert-butylbenzoate 310.93
    morpholine 1393.03
    tert-butylamine 441.53
    n-dodecanol 168.86
    dimethoxymethane 474.64
    ethylene carbonate 303.63
    cyrene 196.06
    2-ethoxyethyl acetate 482.13
    2-ethylhexyl acetate 829.75
    1,2,4-trichlorobenzene 435.08
    4-methylpyridine 1002.15
    dibutyl ether 698.23
    2,6-dimethyl-4-heptanol 369.61
    DEF 428.21
    dimethyl isosorbide 635.42
    tetrachloroethylene 443.99
    eugenol 237.32
    triacetin 323.49
    span 80 326.57
    1,4-butanediol 41.28
    1,1-dichloroethane 773.26
    2-methyl-1-pentanol 250.37
    methyl formate 84.95
    2-methyl-1-butanol 326.16
    n-decane 133.48
    butyronitrile 586.52
    3,7-dimethyl-1-octanol 330.58
    1-chlorooctane 335.34
    1-chlorotetradecane 133.62
    n-nonane 145.27
    undecane 92.83
    tert-butylcyclohexane 138.42
    cyclooctane 236.02
    cyclopentanol 413.89
    tetrahydropyran 2264.46
    tert-amyl methyl ether 495.36
    2,5,8-trioxanonane 549.57
    1-hexene 516.55
    2-isopropoxyethanol 186.57
    2,2,2-trifluoroethanol 25.98
    methyl butyrate 367.64

    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