alpha-Myrcene hydroperoxide

Overview IFRA Botanical Request a quote

  • Identifiers

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

  • Odor profile

    Citrus 58.98%
    Herbal 57.72%
    Fresh 49.51%
    Fruity 46.35%
    Green 45.47%
    Floral 44.8%
    Spicy 40.9%
    Woody 39.11%
    Lemon 34.2%
    Rose 33.99%

    Scent© AI

  • Properties

    pKa est.
    -219063.72 (strong acid)

    Flash point est.
    75.71 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 626.25
    methanol 1143.2
    isopropanol 240.15
    water 12.15
    ethyl acetate 32.8
    n-propanol 346.08
    acetone 67.77
    n-butanol 248.06
    acetonitrile 54.36
    DMF 192.17
    toluene 5.69
    isobutanol 146.25
    1,4-dioxane 196.67
    methyl acetate 43.09
    THF 142.47
    2-butanone 58.86
    n-pentanol 172.75
    sec-butanol 137.3
    n-hexane 3.85
    ethylene glycol 244.38
    NMP 84.09
    cyclohexane 3.75
    DMSO 162.03
    n-butyl acetate 20.37
    n-octanol 20.11
    chloroform 38.9
    n-propyl acetate 32.47
    acetic acid 211.11
    dichloromethane 37.43
    cyclohexanone 53.1
    propylene glycol 272.35
    isopropyl acetate 16.75
    DMAc 146.46
    2-ethoxyethanol 394.09
    isopentanol 119.24
    n-heptane 2.15
    ethyl formate 57.11
    1,2-dichloroethane 30.33
    n-hexanol 70.28
    2-methoxyethanol 602.98
    isobutyl acetate 20.85
    tetrachloromethane 9.01
    n-pentyl acetate 14.66
    transcutol 407.65
    n-heptanol 27.71
    ethylbenzene 6.63
    MIBK 22.69
    2-propoxyethanol 163.02
    tert-butanol 160.3
    MTBE 38.14
    2-butoxyethanol 80.38
    propionic acid 103.48
    o-xylene 8.94
    formic acid 306.17
    diethyl ether 54.61
    m-xylene 8.72
    p-xylene 7.67
    chlorobenzene 7.14
    dimethyl carbonate 9.59
    n-octane 0.99
    formamide 325.31
    cyclopentanone 46.29
    2-pentanone 34.96
    anisole 25.13
    cyclopentyl methyl ether 36.93
    gamma-butyrolactone 53.7
    1-methoxy-2-propanol 224.24
    pyridine 42.85
    3-pentanone 22.98
    furfural 74.17
    n-dodecane 0.7
    diethylene glycol 203.53
    diisopropyl ether 8.13
    tert-amyl alcohol 93.18
    acetylacetone 26.83
    n-hexadecane 0.75
    acetophenone 24.28
    methyl propionate 29.47
    isopentyl acetate 20.75
    trichloroethylene 38.01
    n-nonanol 18.1
    cyclohexanol 76.19
    benzyl alcohol 53.37
    2-ethylhexanol 25.28
    isooctanol 20.57
    dipropyl ether 19.68
    1,2-dichlorobenzene 8.51
    ethyl lactate 30.89
    propylene carbonate 25.57
    n-methylformamide 175.6
    2-pentanol 76.8
    n-pentane 4.42
    1-propoxy-2-propanol 79.57
    1-methoxy-2-propyl acetate 32.18
    2-(2-methoxypropoxy) propanol 64.28
    mesitylene 6.56
    ε-caprolactone 53.83
    p-cymene 5.96
    epichlorohydrin 86.8
    1,1,1-trichloroethane 14.2
    2-aminoethanol 473.77
    morpholine-4-carbaldehyde 161.52
    sulfolane 54.06
    2,2,4-trimethylpentane 2.11
    2-methyltetrahydrofuran 73.14
    n-hexyl acetate 20.32
    isooctane 1.8
    2-(2-butoxyethoxy)ethanol 106.39
    sec-butyl acetate 18.56
    tert-butyl acetate 20.56
    decalin 2.27
    glycerin 293.73
    diglyme 157.75
    acrylic acid 78.82
    isopropyl myristate 7.74
    n-butyric acid 103.14
    acetyl acetate 13.94
    di(2-ethylhexyl) phthalate 14.39
    ethyl propionate 21.91
    nitromethane 140.14
    1,2-diethoxyethane 60.26
    benzonitrile 20.45
    trioctyl phosphate 9.04
    1-bromopropane 16.57
    gamma-valerolactone 131.62
    n-decanol 12.73
    triethyl phosphate 12.39
    4-methyl-2-pentanol 32.02
    propionitrile 43.13
    vinylene carbonate 27.3
    1,1,2-trichlorotrifluoroethane 100.48
    DMS 15.47
    cumene 7.0
    2-octanol 12.17
    2-hexanone 36.68
    octyl acetate 10.86
    limonene 8.65
    1,2-dimethoxyethane 266.29
    ethyl orthosilicate 13.83
    tributyl phosphate 11.28
    diacetone alcohol 56.94
    N,N-dimethylaniline 20.86
    acrylonitrile 45.72
    aniline 28.41
    1,3-propanediol 445.6
    bromobenzene 4.29
    dibromomethane 21.66
    1,1,2,2-tetrachloroethane 37.44
    2-methyl-cyclohexyl acetate 21.99
    tetrabutyl urea 15.93
    diisobutyl methanol 12.94
    2-phenylethanol 33.57
    styrene 5.86
    dioctyl adipate 16.43
    dimethyl sulfate 14.92
    ethyl butyrate 19.06
    methyl lactate 36.98
    butyl lactate 25.67
    diethyl carbonate 12.72
    propanediol butyl ether 80.76
    triethyl orthoformate 17.89
    p-tert-butyltoluene 5.94
    methyl 4-tert-butylbenzoate 24.02
    morpholine 317.06
    tert-butylamine 69.77
    n-dodecanol 9.03
    dimethoxymethane 89.13
    ethylene carbonate 23.43
    cyrene 57.91
    2-ethoxyethyl acetate 33.35
    2-ethylhexyl acetate 14.8
    1,2,4-trichlorobenzene 11.57
    4-methylpyridine 33.63
    dibutyl ether 13.21
    2,6-dimethyl-4-heptanol 12.94
    DEF 55.7
    dimethyl isosorbide 75.28
    tetrachloroethylene 32.15
    eugenol 37.32
    triacetin 26.77
    span 80 51.62
    1,4-butanediol 219.81
    1,1-dichloroethane 20.18
    2-methyl-1-pentanol 93.69
    methyl formate 80.39
    2-methyl-1-butanol 111.34
    n-decane 1.22
    butyronitrile 47.37
    3,7-dimethyl-1-octanol 18.02
    1-chlorooctane 4.91
    1-chlorotetradecane 2.0
    n-nonane 1.12
    undecane 0.88
    tert-butylcyclohexane 2.37
    cyclooctane 1.43
    cyclopentanol 77.96
    tetrahydropyran 93.99
    tert-amyl methyl ether 28.79
    2,5,8-trioxanonane 107.11
    1-hexene 13.02
    2-isopropoxyethanol 161.99
    2,2,2-trifluoroethanol 53.19
    methyl butyrate 33.19

    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) 1.5%