alpha-Myrcene hydroperoxide

  • Identifiers

    SMILES
    CC(=C)CCCC(=C)C=C.O[O-]

  • Odor profile

    Fragrance
    Herbal 64.24%
    Citrus 59.93%
    Woody 58.0%
    Fruity 51.86%
    Fresh 49.46%
    Floral 45.01%
    Green 43.9%
    Spicy 43.14%
    Terpenic 42.02%
    Sweet 41.13%

     

    Flavor
    Citrus 35.29%
    Woody 32.71%
    Spicy 32.51%
    Herbal 31.71%
    Balsam 28.36%
    Balsamic 27.85%
    Spice 26.23%
    Terpene 26.03%
    Wood 25.9%
    Oriental 24.45%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    8.88 (weak base)

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

    Flash point

    • 39.26 ˚C est.

  • Applications

    alpha-Myrcene hydroperoxide is an organic peroxide that may function as a radical initiator in polymer synthesis, as hydroperoxides decompose to generate radicals that start polymerization of vinyl monomers such as styrene, acrylates, and methacrylates. In coatings and adhesive technologies, it may serve as an initiator or crosslinking agent to promote curing and network formation in resins. It can also act as an intermediate in fragrance and flavor chemistry, where terpene hydroperoxides are transformed into aroma compounds or used in synthetic routes to specialty fragrances. As a terpenoid-derived reagent, it may serve as a precursor to other organic materials in industrial manufacturing and fine chemicals. In research settings, it is evaluated as a potential radical source for various polymer and coating formulations, subject to handling requirements and local regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1075.21
    methanol 689.76
    isopropanol 680.25
    water 0.16
    ethyl acetate 1139.23
    n-propanol 838.98
    acetone 507.66
    n-butanol 1200.28
    acetonitrile 410.09
    DMF 281.22
    toluene 688.81
    isobutanol 527.54
    1,4-dioxane 1835.81
    methyl acetate 524.39
    THF 2433.17
    2-butanone 762.36
    n-pentanol 805.01
    sec-butanol 850.51
    n-hexane 1052.83
    ethylene glycol 55.44
    NMP 315.57
    cyclohexane 1008.89
    DMSO 313.26
    n-butyl acetate 1917.71
    n-octanol 461.92
    chloroform 1299.86
    n-propyl acetate 634.49
    acetic acid 277.36
    dichloromethane 964.79
    cyclohexanone 818.34
    propylene glycol 136.01
    isopropyl acetate 740.76
    DMAc 359.33
    2-ethoxyethanol 634.14
    isopentanol 932.52
    n-heptane 1305.22
    ethyl formate 320.0
    1,2-dichloroethane 689.7
    n-hexanol 1888.77
    2-methoxyethanol 737.96
    isobutyl acetate 422.51
    tetrachloromethane 323.61
    n-pentyl acetate 526.69
    transcutol 2336.7
    n-heptanol 536.92
    ethylbenzene 366.54
    MIBK 522.44
    2-propoxyethanol 1404.3
    tert-butanol 960.02
    MTBE 1629.32
    2-butoxyethanol 573.02
    propionic acid 262.54
    o-xylene 328.02
    formic acid 57.92
    diethyl ether 2713.4
    m-xylene 404.44
    p-xylene 339.25
    chlorobenzene 428.06
    dimethyl carbonate 97.12
    n-octane 222.19
    formamide 77.31
    cyclopentanone 591.29
    2-pentanone 841.34
    anisole 524.32
    cyclopentyl methyl ether 1247.11
    gamma-butyrolactone 457.25
    1-methoxy-2-propanol 626.3
    pyridine 961.99
    3-pentanone 577.66
    furfural 411.22
    n-dodecane 88.05
    diethylene glycol 408.57
    diisopropyl ether 785.61
    tert-amyl alcohol 946.2
    acetylacetone 479.49
    n-hexadecane 99.11
    acetophenone 295.28
    methyl propionate 459.51
    isopentyl acetate 1290.03
    trichloroethylene 812.39
    n-nonanol 439.21
    cyclohexanol 743.9
    benzyl alcohol 255.03
    2-ethylhexanol 1339.63
    isooctanol 391.9
    dipropyl ether 2784.23
    1,2-dichlorobenzene 303.5
    ethyl lactate 156.4
    propylene carbonate 332.91
    n-methylformamide 155.59
    2-pentanol 860.84
    n-pentane 841.38
    1-propoxy-2-propanol 1300.99
    1-methoxy-2-propyl acetate 929.5
    2-(2-methoxypropoxy) propanol 469.75
    mesitylene 255.99
    ε-caprolactone 730.82
    p-cymene 357.91
    epichlorohydrin 837.57
    1,1,1-trichloroethane 696.86
    2-aminoethanol 197.55
    morpholine-4-carbaldehyde 530.84
    sulfolane 365.35
    2,2,4-trimethylpentane 237.62
    2-methyltetrahydrofuran 2054.83
    n-hexyl acetate 669.96
    isooctane 203.32
    2-(2-butoxyethoxy)ethanol 727.6
    sec-butyl acetate 530.97
    tert-butyl acetate 724.92
    decalin 285.5
    glycerin 134.76
    diglyme 1241.71
    acrylic acid 136.06
    isopropyl myristate 287.82
    n-butyric acid 721.85
    acetyl acetate 420.64
    di(2-ethylhexyl) phthalate 185.36
    ethyl propionate 527.85
    nitromethane 260.63
    1,2-diethoxyethane 1987.7
    benzonitrile 342.87
    trioctyl phosphate 146.84
    1-bromopropane 1152.88
    gamma-valerolactone 687.11
    n-decanol 315.58
    triethyl phosphate 275.75
    4-methyl-2-pentanol 488.09
    propionitrile 553.89
    vinylene carbonate 240.37
    1,1,2-trichlorotrifluoroethane 335.19
    DMS 244.07
    cumene 221.7
    2-octanol 318.28
    2-hexanone 781.06
    octyl acetate 333.47
    limonene 735.64
    1,2-dimethoxyethane 1372.72
    ethyl orthosilicate 353.21
    tributyl phosphate 204.49
    diacetone alcohol 493.99
    N,N-dimethylaniline 311.26
    acrylonitrile 317.18
    aniline 496.98
    1,3-propanediol 365.21
    bromobenzene 472.37
    dibromomethane 942.0
    1,1,2,2-tetrachloroethane 753.26
    2-methyl-cyclohexyl acetate 607.67
    tetrabutyl urea 243.25
    diisobutyl methanol 603.93
    2-phenylethanol 536.62
    styrene 433.05
    dioctyl adipate 311.66
    dimethyl sulfate 87.43
    ethyl butyrate 1251.38
    methyl lactate 134.07
    butyl lactate 253.85
    diethyl carbonate 517.89
    propanediol butyl ether 313.43
    triethyl orthoformate 801.54
    p-tert-butyltoluene 347.83
    methyl 4-tert-butylbenzoate 277.36
    morpholine 2023.7
    tert-butylamine 914.01
    n-dodecanol 239.57
    dimethoxymethane 535.17
    ethylene carbonate 277.39
    cyrene 220.54
    2-ethoxyethyl acetate 566.68
    2-ethylhexyl acetate 1208.16
    1,2,4-trichlorobenzene 329.1
    4-methylpyridine 865.9
    dibutyl ether 1293.46
    2,6-dimethyl-4-heptanol 603.93
    DEF 732.47
    dimethyl isosorbide 689.45
    tetrachloroethylene 530.83
    eugenol 241.91
    triacetin 340.7
    span 80 471.04
    1,4-butanediol 118.46
    1,1-dichloroethane 751.97
    2-methyl-1-pentanol 706.34
    methyl formate 90.72
    2-methyl-1-butanol 809.5
    n-decane 192.74
    butyronitrile 890.56
    3,7-dimethyl-1-octanol 537.31
    1-chlorooctane 430.31
    1-chlorotetradecane 150.48
    n-nonane 224.16
    undecane 121.54
    tert-butylcyclohexane 263.72
    cyclooctane 387.96
    cyclopentanol 481.39
    tetrahydropyran 2707.45
    tert-amyl methyl ether 1214.81
    2,5,8-trioxanonane 729.23
    1-hexene 1852.57
    2-isopropoxyethanol 502.77
    2,2,2-trifluoroethanol 45.98
    methyl butyrate 641.82

    Scent© AI

1 of 3
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
Name CAS Botanical Proportion
Annual wormwood (India) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.05%
Annual wormwood (China) 2b 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 1.5%