beta-Myrcene hydroperoxide

Overview IFRA Botanical Request a quote

  • Identifiers

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

  • Odor profile

    Herbal 65.43%
    Citrus 63.19%
    Green 53.57%
    Fresh 52.06%
    Floral 45.96%
    Woody 45.01%
    Fruity 42.6%
    Spicy 42.2%
    Lemon 39.95%
    Sweet 34.01%

    Scent© AI

  • Properties

    pKa est.
    -219063.47 (strong acid)

    Flash point est.
    81.66 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 383.16
    methanol 594.13
    isopropanol 177.0
    water 5.54
    ethyl acetate 31.34
    n-propanol 228.97
    acetone 55.02
    n-butanol 186.49
    acetonitrile 47.11
    DMF 133.06
    toluene 7.76
    isobutanol 107.19
    1,4-dioxane 165.51
    methyl acetate 41.21
    THF 130.03
    2-butanone 53.48
    n-pentanol 126.68
    sec-butanol 116.22
    n-hexane 5.58
    ethylene glycol 113.36
    NMP 69.0
    cyclohexane 5.53
    DMSO 113.29
    n-butyl acetate 20.12
    n-octanol 18.27
    chloroform 54.07
    n-propyl acetate 29.54
    acetic acid 123.4
    dichloromethane 47.16
    cyclohexanone 46.78
    propylene glycol 160.98
    isopropyl acetate 16.71
    DMAc 123.33
    2-ethoxyethanol 263.42
    isopentanol 93.71
    n-heptane 2.87
    ethyl formate 43.74
    1,2-dichloroethane 33.75
    n-hexanol 60.3
    2-methoxyethanol 392.17
    isobutyl acetate 19.01
    tetrachloromethane 11.76
    n-pentyl acetate 14.93
    transcutol 314.86
    n-heptanol 24.44
    ethylbenzene 8.62
    MIBK 20.18
    2-propoxyethanol 125.72
    tert-butanol 132.47
    MTBE 42.06
    2-butoxyethanol 64.74
    propionic acid 73.06
    o-xylene 10.93
    formic acid 147.54
    diethyl ether 57.48
    m-xylene 10.14
    p-xylene 10.18
    chlorobenzene 9.24
    dimethyl carbonate 8.83
    n-octane 1.32
    formamide 180.9
    cyclopentanone 40.23
    2-pentanone 31.6
    anisole 28.11
    cyclopentyl methyl ether 34.7
    gamma-butyrolactone 44.59
    1-methoxy-2-propanol 162.66
    pyridine 45.92
    3-pentanone 23.53
    furfural 59.51
    n-dodecane 0.9
    diethylene glycol 130.18
    diisopropyl ether 9.25
    tert-amyl alcohol 84.48
    acetylacetone 23.08
    n-hexadecane 0.96
    acetophenone 24.38
    methyl propionate 27.45
    isopentyl acetate 20.53
    trichloroethylene 43.06
    n-nonanol 17.36
    cyclohexanol 65.01
    benzyl alcohol 46.6
    2-ethylhexanol 23.99
    isooctanol 18.88
    dipropyl ether 21.19
    1,2-dichlorobenzene 10.18
    ethyl lactate 25.38
    propylene carbonate 22.41
    n-methylformamide 106.97
    2-pentanol 67.96
    n-pentane 6.5
    1-propoxy-2-propanol 67.91
    1-methoxy-2-propyl acetate 29.03
    2-(2-methoxypropoxy) propanol 55.96
    mesitylene 7.55
    ε-caprolactone 46.15
    p-cymene 6.91
    epichlorohydrin 73.74
    1,1,1-trichloroethane 18.69
    2-aminoethanol 254.56
    morpholine-4-carbaldehyde 118.88
    sulfolane 47.22
    2,2,4-trimethylpentane 2.95
    2-methyltetrahydrofuran 71.75
    n-hexyl acetate 19.94
    isooctane 2.17
    2-(2-butoxyethoxy)ethanol 87.78
    sec-butyl acetate 18.4
    tert-butyl acetate 19.85
    decalin 3.14
    glycerin 168.49
    diglyme 131.61
    acrylic acid 51.94
    isopropyl myristate 8.57
    n-butyric acid 73.7
    acetyl acetate 13.31
    di(2-ethylhexyl) phthalate 13.41
    ethyl propionate 21.68
    nitromethane 93.02
    1,2-diethoxyethane 59.73
    benzonitrile 20.56
    trioctyl phosphate 8.6
    1-bromopropane 22.79
    gamma-valerolactone 100.26
    n-decanol 12.29
    triethyl phosphate 13.0
    4-methyl-2-pentanol 28.52
    propionitrile 40.68
    vinylene carbonate 23.57
    1,1,2-trichlorotrifluoroethane 78.75
    DMS 15.43
    cumene 8.53
    2-octanol 11.86
    2-hexanone 34.17
    octyl acetate 11.16
    limonene 9.96
    1,2-dimethoxyethane 208.85
    ethyl orthosilicate 14.7
    tributyl phosphate 10.91
    diacetone alcohol 45.88
    N,N-dimethylaniline 22.64
    acrylonitrile 39.73
    aniline 29.88
    1,3-propanediol 264.55
    bromobenzene 5.95
    dibromomethane 30.28
    1,1,2,2-tetrachloroethane 42.87
    2-methyl-cyclohexyl acetate 22.15
    tetrabutyl urea 15.1
    diisobutyl methanol 13.13
    2-phenylethanol 31.64
    styrene 8.0
    dioctyl adipate 16.49
    dimethyl sulfate 13.55
    ethyl butyrate 19.36
    methyl lactate 28.33
    butyl lactate 22.74
    diethyl carbonate 13.31
    propanediol butyl ether 63.14
    triethyl orthoformate 18.94
    p-tert-butyltoluene 6.78
    methyl 4-tert-butylbenzoate 23.0
    morpholine 249.16
    tert-butylamine 66.15
    n-dodecanol 8.94
    dimethoxymethane 71.25
    ethylene carbonate 20.47
    cyrene 48.17
    2-ethoxyethyl acetate 30.76
    2-ethylhexyl acetate 15.63
    1,2,4-trichlorobenzene 13.78
    4-methylpyridine 35.74
    dibutyl ether 15.18
    2,6-dimethyl-4-heptanol 13.13
    DEF 47.54
    dimethyl isosorbide 69.54
    tetrachloroethylene 34.32
    eugenol 33.45
    triacetin 24.59
    span 80 44.14
    1,4-butanediol 127.51
    1,1-dichloroethane 26.68
    2-methyl-1-pentanol 75.3
    methyl formate 50.57
    2-methyl-1-butanol 88.8
    n-decane 1.59
    butyronitrile 45.08
    3,7-dimethyl-1-octanol 17.11
    1-chlorooctane 6.08
    1-chlorotetradecane 2.49
    n-nonane 1.48
    undecane 1.14
    tert-butylcyclohexane 3.21
    cyclooctane 2.07
    cyclopentanol 62.32
    tetrahydropyran 94.23
    tert-amyl methyl ether 31.71
    2,5,8-trioxanonane 90.87
    1-hexene 17.06
    2-isopropoxyethanol 119.31
    2,2,2-trifluoroethanol 33.88
    methyl butyrate 30.71

    Scent© AI

1 3

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

Botanical

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) 1.6%