alpha-Phellandrene epoxide

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    288393-04-4

    Molecular formula
    C10H16O

    SMILES
    CC(C)C1CC2C(O2)(C=C1)C

    Retention indicies (RI)

    • DB5: 1204.33

  • Odor profile

    Herbal 58.25%
    Green 57.37%
    Woody 50.62%
    Spicy 49.38%
    Fruity 47.95%
    Fresh 45.07%
    Mint 45.04%
    Floral 31.69%
    Grapefruit 31.54%
    Earthy 31.11%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.57 (neutral)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    172°C

    Flash point est.
    78.87 ˚C

  • Synonyms

    • .alpha.-phellandrene epoxide
    • 1-methyl-4-propan-2-yl-7-oxabicyclo(4.1.0)hept-2-ene
    • 1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]hept-2-ene
    • alpha-Phellandrene epoxide
    • 288393-04-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.13
    methanol 147.6
    isopropanol 178.38
    water 0.54
    ethyl acetate 150.94
    n-propanol 186.25
    acetone 111.71
    n-butanol 176.44
    acetonitrile 134.25
    DMF 93.99
    toluene 119.79
    isobutanol 133.04
    1,4-dioxane 375.6
    methyl acetate 148.24
    THF 329.65
    2-butanone 141.86
    n-pentanol 122.61
    sec-butanol 149.72
    n-hexane 29.16
    ethylene glycol 42.21
    NMP 69.27
    cyclohexane 56.67
    DMSO 79.6
    n-butyl acetate 144.97
    n-octanol 89.05
    chloroform 400.84
    n-propyl acetate 87.33
    acetic acid 83.13
    dichloromethane 270.56
    cyclohexanone 150.46
    propylene glycol 79.31
    isopropyl acetate 98.92
    DMAc 107.67
    2-ethoxyethanol 148.27
    isopentanol 134.71
    n-heptane 31.89
    ethyl formate 81.88
    1,2-dichloroethane 133.57
    n-hexanol 200.28
    2-methoxyethanol 202.39
    isobutyl acetate 70.06
    tetrachloromethane 73.74
    n-pentyl acetate 82.63
    transcutol 440.78
    n-heptanol 91.13
    ethylbenzene 71.91
    MIBK 81.01
    2-propoxyethanol 264.78
    tert-butanol 166.78
    MTBE 152.61
    2-butoxyethanol 130.36
    propionic acid 90.18
    o-xylene 77.16
    formic acid 33.77
    diethyl ether 172.29
    m-xylene 82.42
    p-xylene 90.33
    chlorobenzene 110.23
    dimethyl carbonate 45.32
    n-octane 14.41
    formamide 49.9
    cyclopentanone 133.38
    2-pentanone 112.12
    anisole 116.89
    cyclopentyl methyl ether 128.26
    gamma-butyrolactone 126.54
    1-methoxy-2-propanol 182.48
    pyridine 204.48
    3-pentanone 90.16
    furfural 118.63
    n-dodecane 14.54
    diethylene glycol 170.95
    diisopropyl ether 60.26
    tert-amyl alcohol 131.64
    acetylacetone 102.11
    n-hexadecane 16.3
    acetophenone 89.65
    methyl propionate 103.81
    isopentyl acetate 126.03
    trichloroethylene 223.48
    n-nonanol 80.59
    cyclohexanol 129.06
    benzyl alcohol 97.54
    2-ethylhexanol 107.21
    isooctanol 66.94
    dipropyl ether 109.17
    1,2-dichlorobenzene 90.46
    ethyl lactate 52.23
    propylene carbonate 86.63
    n-methylformamide 63.29
    2-pentanol 118.31
    n-pentane 35.64
    1-propoxy-2-propanol 191.11
    1-methoxy-2-propyl acetate 151.22
    2-(2-methoxypropoxy) propanol 123.93
    mesitylene 52.75
    ε-caprolactone 142.58
    p-cymene 59.32
    epichlorohydrin 180.59
    1,1,1-trichloroethane 151.39
    2-aminoethanol 91.58
    morpholine-4-carbaldehyde 151.77
    sulfolane 88.39
    2,2,4-trimethylpentane 19.95
    2-methyltetrahydrofuran 221.56
    n-hexyl acetate 123.56
    isooctane 17.57
    2-(2-butoxyethoxy)ethanol 174.6
    sec-butyl acetate 75.62
    tert-butyl acetate 91.25
    decalin 28.2
    glycerin 78.34
    diglyme 254.04
    acrylic acid 64.32
    isopropyl myristate 57.4
    n-butyric acid 117.57
    acetyl acetate 91.64
    di(2-ethylhexyl) phthalate 55.35
    ethyl propionate 81.11
    nitromethane 97.42
    1,2-diethoxyethane 180.59
    benzonitrile 111.05
    trioctyl phosphate 41.54
    1-bromopropane 132.26
    gamma-valerolactone 184.41
    n-decanol 62.63
    triethyl phosphate 50.54
    4-methyl-2-pentanol 77.68
    propionitrile 140.39
    vinylene carbonate 89.28
    1,1,2-trichlorotrifluoroethane 122.32
    DMS 94.69
    cumene 52.78
    2-octanol 61.37
    2-hexanone 90.83
    octyl acetate 69.01
    limonene 69.53
    1,2-dimethoxyethane 195.94
    ethyl orthosilicate 52.07
    tributyl phosphate 47.85
    diacetone alcohol 98.22
    N,N-dimethylaniline 72.5
    acrylonitrile 123.24
    aniline 117.74
    1,3-propanediol 125.42
    bromobenzene 117.82
    dibromomethane 213.76
    1,1,2,2-tetrachloroethane 188.37
    2-methyl-cyclohexyl acetate 84.78
    tetrabutyl urea 54.77
    diisobutyl methanol 66.38
    2-phenylethanol 129.4
    styrene 79.01
    dioctyl adipate 64.99
    dimethyl sulfate 41.55
    ethyl butyrate 93.87
    methyl lactate 62.03
    butyl lactate 73.39
    diethyl carbonate 71.26
    propanediol butyl ether 118.47
    triethyl orthoformate 77.94
    p-tert-butyltoluene 56.95
    methyl 4-tert-butylbenzoate 76.27
    morpholine 353.55
    tert-butylamine 124.76
    n-dodecanol 50.75
    dimethoxymethane 127.71
    ethylene carbonate 83.98
    cyrene 78.37
    2-ethoxyethyl acetate 127.04
    2-ethylhexyl acetate 104.45
    1,2,4-trichlorobenzene 110.33
    4-methylpyridine 168.02
    dibutyl ether 86.91
    2,6-dimethyl-4-heptanol 66.38
    DEF 87.56
    dimethyl isosorbide 152.31
    tetrachloroethylene 129.9
    eugenol 82.06
    triacetin 111.09
    span 80 110.65
    1,4-butanediol 60.03
    1,1-dichloroethane 172.35
    2-methyl-1-pentanol 105.41
    methyl formate 45.35
    2-methyl-1-butanol 124.38
    n-decane 21.67
    butyronitrile 141.46
    3,7-dimethyl-1-octanol 89.27
    1-chlorooctane 54.32
    1-chlorotetradecane 27.78
    n-nonane 19.6
    undecane 17.54
    tert-butylcyclohexane 25.14
    cyclooctane 24.21
    cyclopentanol 115.93
    tetrahydropyran 302.59
    tert-amyl methyl ether 104.18
    2,5,8-trioxanonane 175.84
    1-hexene 78.0
    2-isopropoxyethanol 118.59
    2,2,2-trifluoroethanol 34.7
    methyl butyrate 85.64

    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

Botanical

Name CAS Botanical Proportion
Erichtites hieracifolia (Brazil) Erichtites hieracifolia (L.) Raf. ex DC, fam. Asteraceae (Compositae) 1.0%
Eucalyptus globulus (China) 4 residue 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.15%
Licaria salicifolia Licaria salicifolia (Sw.) Kosterm., fam. Lauraceae 0.01%
Cinnamomum cordatum (Malaysia) 1a leaf Cinnamomum cordatum Kosterm., fam. Lauraceae 0.4%
Espeletia weddellii leaf Espeletia weddellii Sch. Bip. ex Wedd., fam. Asteraceae (Compositae) 0.4%