(E)-Myroxide

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    28977-57-3

    Molecular formula
    C10H16O

    SMILES
    C/C(=C\CC1C(O1)(C)C)/C=C

  • Odor profile

    Herbal 70.18%
    Sweet 67.36%
    Citrus 63.42%
    Fresh 60.7%
    Lemon 49.23%
    Green 48.89%
    Woody 45.62%
    Floral 42.28%
    Spicy 41.11%
    Mint 38.7%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    186°C

    Flash point est.
    52.73 ˚C

  • Synonyms

    • (E)-Myroxide
    • Myroxide
    • X9NWB0464E
    • (E)-beta-Ocimene epoxide
    • UNII-X9NWB0464E
    • beta-Ocimene epoxide, (E)-
    • 28977-57-3
    • 1,3-Octadiene, 6,7-epoxy-3,7-dimethyl-, (E)
    • (E)-.beta.-Ocimene epoxide
    • Oxirane, 2,2-dimethyl-3-((2E)-3-methyl-2,4-pentadien-1-yl)-
    • .BETA.-OCIMENE EPOXIDE, (E)-
    • 2,2-dimethyl-3-[(2E)-3-methylpenta-2,4-dienyl]oxirane
    • (E)-2,2-Dimethyl-3-(3-methylpenta-2,4-dien-1-yl)oxirane
    • 2,2-DIMETHYL-3-(3-METHYL-2,4-PENTADIENYL)-OXIRANE
    • Oxirane, 2,2-dimethyl-3-[(2E)-3-methyl-2,4-pentadienyl]
    • Oxirane, 2,2-dimethyl-3-(3-methyl-2,4-pentadienyl)-, (E)-
    • 2,2-dimethyl-3-((2E)-3-methylpenta-2,4-dienyl)oxirane
    • Oxirane, 2,2-dimethyl-3-((2E)-3-methyl-2,4-pentadienyl)
    • SCHEMBL1472146
    • DTXSID801321403
    • 2,2-Dimethyl-3(3-methyl-2,4-pentadienyl)-oxirane
    • Q27890447

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 462.2
    methanol 362.18
    isopropanol 370.51
    water 1.16
    ethyl acetate 287.84
    n-propanol 337.53
    acetone 166.83
    n-butanol 341.79
    acetonitrile 203.52
    DMF 124.7
    toluene 205.94
    isobutanol 211.71
    1,4-dioxane 646.24
    methyl acetate 229.2
    THF 503.06
    2-butanone 221.73
    n-pentanol 241.93
    sec-butanol 333.61
    n-hexane 83.83
    ethylene glycol 79.1
    NMP 116.04
    cyclohexane 115.69
    DMSO 133.47
    n-butyl acetate 222.04
    n-octanol 152.24
    chloroform 647.87
    n-propyl acetate 145.14
    acetic acid 179.23
    dichloromethane 412.81
    cyclohexanone 195.6
    propylene glycol 168.45
    isopropyl acetate 185.51
    DMAc 215.94
    2-ethoxyethanol 306.4
    isopentanol 261.06
    n-heptane 75.79
    ethyl formate 118.63
    1,2-dichloroethane 206.14
    n-hexanol 339.31
    2-methoxyethanol 406.71
    isobutyl acetate 118.36
    tetrachloromethane 117.75
    n-pentyl acetate 127.08
    transcutol 943.87
    n-heptanol 147.84
    ethylbenzene 127.61
    MIBK 134.55
    2-propoxyethanol 433.72
    tert-butanol 364.3
    MTBE 355.36
    2-butoxyethanol 219.36
    propionic acid 159.69
    o-xylene 128.21
    formic acid 70.91
    diethyl ether 430.65
    m-xylene 132.63
    p-xylene 146.09
    chlorobenzene 149.47
    dimethyl carbonate 63.77
    n-octane 27.33
    formamide 93.71
    cyclopentanone 146.15
    2-pentanone 180.43
    anisole 227.92
    cyclopentyl methyl ether 226.27
    gamma-butyrolactone 143.73
    1-methoxy-2-propanol 337.06
    pyridine 323.8
    3-pentanone 150.47
    furfural 178.7
    n-dodecane 23.27
    diethylene glycol 281.49
    diisopropyl ether 138.14
    tert-amyl alcohol 322.87
    acetylacetone 161.4
    n-hexadecane 25.71
    acetophenone 148.1
    methyl propionate 171.42
    isopentyl acetate 203.11
    trichloroethylene 341.18
    n-nonanol 145.9
    cyclohexanol 221.36
    benzyl alcohol 157.33
    2-ethylhexanol 182.42
    isooctanol 109.54
    dipropyl ether 238.43
    1,2-dichlorobenzene 131.12
    ethyl lactate 85.6
    propylene carbonate 118.59
    n-methylformamide 87.18
    2-pentanol 256.26
    n-pentane 91.71
    1-propoxy-2-propanol 329.29
    1-methoxy-2-propyl acetate 263.05
    2-(2-methoxypropoxy) propanol 239.82
    mesitylene 83.27
    ε-caprolactone 210.25
    p-cymene 91.47
    epichlorohydrin 277.66
    1,1,1-trichloroethane 239.52
    2-aminoethanol 186.94
    morpholine-4-carbaldehyde 261.23
    sulfolane 121.99
    2,2,4-trimethylpentane 44.64
    2-methyltetrahydrofuran 399.17
    n-hexyl acetate 205.24
    isooctane 34.78
    2-(2-butoxyethoxy)ethanol 333.57
    sec-butyl acetate 136.65
    tert-butyl acetate 178.18
    decalin 59.39
    glycerin 157.93
    diglyme 485.58
    acrylic acid 111.37
    isopropyl myristate 96.37
    n-butyric acid 213.86
    acetyl acetate 150.74
    di(2-ethylhexyl) phthalate 93.53
    ethyl propionate 144.03
    nitromethane 154.43
    1,2-diethoxyethane 392.04
    benzonitrile 152.41
    trioctyl phosphate 58.53
    1-bromopropane 229.83
    gamma-valerolactone 254.98
    n-decanol 109.41
    triethyl phosphate 87.07
    4-methyl-2-pentanol 157.25
    propionitrile 203.98
    vinylene carbonate 117.61
    1,1,2-trichlorotrifluoroethane 215.45
    DMS 152.27
    cumene 88.02
    2-octanol 94.89
    2-hexanone 152.34
    octyl acetate 116.65
    limonene 126.2
    1,2-dimethoxyethane 397.13
    ethyl orthosilicate 94.55
    tributyl phosphate 72.89
    diacetone alcohol 180.14
    N,N-dimethylaniline 149.8
    acrylonitrile 164.76
    aniline 200.26
    1,3-propanediol 238.3
    bromobenzene 159.12
    dibromomethane 337.94
    1,1,2,2-tetrachloroethane 316.45
    2-methyl-cyclohexyl acetate 157.77
    tetrabutyl urea 86.34
    diisobutyl methanol 111.73
    2-phenylethanol 212.81
    styrene 142.48
    dioctyl adipate 117.71
    dimethyl sulfate 60.67
    ethyl butyrate 169.89
    methyl lactate 94.31
    butyl lactate 104.42
    diethyl carbonate 129.49
    propanediol butyl ether 207.17
    triethyl orthoformate 151.26
    p-tert-butyltoluene 88.83
    methyl 4-tert-butylbenzoate 138.41
    morpholine 648.08
    tert-butylamine 280.9
    n-dodecanol 84.71
    dimethoxymethane 189.85
    ethylene carbonate 112.5
    cyrene 132.81
    2-ethoxyethyl acetate 203.59
    2-ethylhexyl acetate 174.24
    1,2,4-trichlorobenzene 162.66
    4-methylpyridine 266.66
    dibutyl ether 180.08
    2,6-dimethyl-4-heptanol 111.73
    DEF 177.73
    dimethyl isosorbide 292.42
    tetrachloroethylene 211.36
    eugenol 132.59
    triacetin 187.63
    span 80 203.29
    1,4-butanediol 106.49
    1,1-dichloroethane 260.56
    2-methyl-1-pentanol 203.23
    methyl formate 54.05
    2-methyl-1-butanol 229.06
    n-decane 37.96
    butyronitrile 221.52
    3,7-dimethyl-1-octanol 156.0
    1-chlorooctane 96.36
    1-chlorotetradecane 45.42
    n-nonane 36.8
    undecane 28.82
    tert-butylcyclohexane 54.35
    cyclooctane 50.79
    cyclopentanol 166.32
    tetrahydropyran 525.27
    tert-amyl methyl ether 256.51
    2,5,8-trioxanonane 341.1
    1-hexene 184.71
    2-isopropoxyethanol 242.7
    2,2,2-trifluoroethanol 57.04
    methyl butyrate 146.02

    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

Botanical

Name CAS Botanical Proportion
Daffodil flower headspace Narcissus pseudonarcissus L., fam. Amaryllidaceae 0.2%
Tanacetum khorassanicum (Iran) Tanacetum khorassanicum (Krasch.) Parsa, fam. Asteraceae (Compositae) 19.8%
Lavender (France) 8 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Bulgaria) 2 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%