Anethole oxide

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    50618-02-5

    Molecular formula
    C10H12O2

    SMILES
    C[C@H]1[C@@H](O1)C2=CC=C(C=C2)OC

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 75.4%
    Sweet 56.92%
    Vanilla 43.15%
    Anisic 43.0%
    Powdery 37.21%
    Fruity 33.5%
    Aromatic 33.36%
    Hay 30.23%
    Hawthorn 30.01%
    Cherry 27.78%

     

    Flavor
    Bitter 62.5%
    Sweet 58.01%
    Floral 41.45%
    Woody 29.24%
    Fruity 29.07%
    Herbal 28.28%
    Powdery 26.21%
    Earthy 26.19%
    Spicy 24.94%
    Flower 24.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.81 (weak acid)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 91.84 ˚C est.

  • Synonyms

    • trans-Anethole oxide
    • Anethole oxide
    • Trans-Anethole epoxide
    • UNII-V01850G5GA
    • ANETHOLE OXIDE, TRANS-
    • CCRIS 8553
    • V01850G5GA
    • ANETHOLE OXIDE, TRANS-(+/-)-
    • J540.066J
    • 50618-02-5
    • (2R,3R)-2-(4-Methoxyphenyl)-3-methyl-oxirane
    • 2.BETA.-METHYL-3.ALPHA.-(4-METHOXYPHENYL)OXIRANE
    • OXIRANE, 2-(4-METHOXYPHENYL)-3-METHYL-, TRANS-
    • OXIRANE, 2-(4-METHOXYPHENYL)-3-METHYL-, (2R,3R)-REL-
    • DTXSID50198663
    • rac-(2R,3R)-2-(4-methoxyphenyl)-3-methyloxirane, trans
    • anethole epoxide
    • 2beta-Methyl-3alpha-(4-methoxyphenyl)oxirane
    • SCHEMBL4622007
    • DTXCID10121154
    • EN300-305327
    • rac-(2R,3R)-2-(4-methoxyphenyl)-3-methyloxirane
    • Q27291357
    • Z2527564242

  • Applications

    Anethole oxide (CAS 50618-02-5) is commonly used as a fragrance component and/or a synthetic intermediate in aroma chemistry; practical applications include: serving as a raw material for perfumery/fragrance and flavor to add or adjust scent, being used in cosmetics and personal care formulations as a fragrance ingredient, being applied in household and cleaning products to impart a characteristic aroma, acting as an intermediate in the synthesis of other fragrance compounds, and potentially serving as a reagent or functional monomer in polymer/plastics or coatings/inks formulations to introduce scent. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 144.22
    methanol 150.67
    isopropanol 106.11
    water 0.59
    ethyl acetate 244.32
    n-propanol 114.38
    acetone 365.05
    n-butanol 104.88
    acetonitrile 292.07
    DMF 294.3
    toluene 107.27
    isobutanol 80.11
    1,4-dioxane 522.07
    methyl acetate 271.71
    THF 545.21
    2-butanone 267.92
    n-pentanol 89.57
    sec-butanol 96.34
    n-hexane 13.18
    ethylene glycol 96.0
    NMP 291.63
    cyclohexane 19.13
    DMSO 658.6
    n-butyl acetate 157.69
    n-octanol 27.53
    chloroform 842.67
    n-propyl acetate 148.38
    acetic acid 279.79
    dichloromethane 908.96
    cyclohexanone 258.67
    propylene glycol 98.05
    isopropyl acetate 145.08
    DMAc 318.04
    2-ethoxyethanol 296.83
    isopentanol 107.36
    n-heptane 7.91
    ethyl formate 132.9
    1,2-dichloroethane 580.87
    n-hexanol 76.26
    2-methoxyethanol 374.83
    isobutyl acetate 93.16
    tetrachloromethane 99.41
    n-pentyl acetate 61.89
    transcutol 1250.63
    n-heptanol 29.26
    ethylbenzene 57.45
    MIBK 131.15
    2-propoxyethanol 213.45
    tert-butanol 184.16
    MTBE 220.67
    2-butoxyethanol 100.52
    propionic acid 142.65
    o-xylene 70.99
    formic acid 149.73
    diethyl ether 243.11
    m-xylene 67.29
    p-xylene 64.52
    chlorobenzene 187.22
    dimethyl carbonate 133.24
    n-octane 2.35
    formamide 302.43
    cyclopentanone 357.66
    2-pentanone 191.5
    anisole 210.06
    cyclopentyl methyl ether 210.97
    gamma-butyrolactone 398.09
    1-methoxy-2-propanol 248.44
    pyridine 328.31
    3-pentanone 166.43
    furfural 424.84
    n-dodecane 2.48
    diethylene glycol 262.18
    diisopropyl ether 70.58
    tert-amyl alcohol 146.43
    acetylacetone 305.02
    n-hexadecane 2.95
    acetophenone 166.12
    methyl propionate 192.75
    isopentyl acetate 147.98
    trichloroethylene 1042.29
    n-nonanol 27.43
    cyclohexanol 97.15
    benzyl alcohol 132.97
    2-ethylhexanol 55.79
    isooctanol 29.1
    dipropyl ether 86.38
    1,2-dichlorobenzene 181.91
    ethyl lactate 85.06
    propylene carbonate 195.32
    n-methylformamide 181.24
    2-pentanol 77.13
    n-pentane 11.7
    1-propoxy-2-propanol 137.61
    1-methoxy-2-propyl acetate 218.96
    2-(2-methoxypropoxy) propanol 183.26
    mesitylene 44.63
    ε-caprolactone 227.69
    p-cymene 39.88
    epichlorohydrin 696.06
    1,1,1-trichloroethane 397.26
    2-aminoethanol 123.46
    morpholine-4-carbaldehyde 400.43
    sulfolane 500.73
    2,2,4-trimethylpentane 11.6
    2-methyltetrahydrofuran 342.47
    n-hexyl acetate 91.54
    isooctane 9.17
    2-(2-butoxyethoxy)ethanol 236.31
    sec-butyl acetate 108.64
    tert-butyl acetate 188.2
    decalin 15.51
    glycerin 180.09
    diglyme 508.36
    acrylic acid 168.88
    isopropyl myristate 43.95
    n-butyric acid 158.4
    acetyl acetate 190.52
    di(2-ethylhexyl) phthalate 51.93
    ethyl propionate 134.46
    nitromethane 597.57
    1,2-diethoxyethane 278.69
    benzonitrile 151.5
    trioctyl phosphate 30.31
    1-bromopropane 211.23
    gamma-valerolactone 439.63
    n-decanol 21.86
    triethyl phosphate 84.99
    4-methyl-2-pentanol 58.41
    propionitrile 165.4
    vinylene carbonate 204.59
    1,1,2-trichlorotrifluoroethane 474.21
    DMS 175.62
    cumene 43.28
    2-octanol 18.43
    2-hexanone 143.2
    octyl acetate 50.79
    limonene 53.86
    1,2-dimethoxyethane 438.42
    ethyl orthosilicate 78.33
    tributyl phosphate 50.12
    diacetone alcohol 200.87
    N,N-dimethylaniline 111.8
    acrylonitrile 222.09
    aniline 152.38
    1,3-propanediol 167.99
    bromobenzene 202.54
    dibromomethane 533.77
    1,1,2,2-tetrachloroethane 679.51
    2-methyl-cyclohexyl acetate 108.38
    tetrabutyl urea 55.69
    diisobutyl methanol 42.56
    2-phenylethanol 105.67
    styrene 80.59
    dioctyl adipate 79.2
    dimethyl sulfate 230.07
    ethyl butyrate 121.4
    methyl lactate 126.08
    butyl lactate 66.01
    diethyl carbonate 110.2
    propanediol butyl ether 101.68
    triethyl orthoformate 102.8
    p-tert-butyltoluene 39.51
    methyl 4-tert-butylbenzoate 116.12
    morpholine 470.57
    tert-butylamine 105.47
    n-dodecanol 17.99
    dimethoxymethane 289.06
    ethylene carbonate 165.35
    cyrene 160.42
    2-ethoxyethyl acetate 170.74
    2-ethylhexyl acetate 117.05
    1,2,4-trichlorobenzene 231.11
    4-methylpyridine 238.67
    dibutyl ether 65.34
    2,6-dimethyl-4-heptanol 42.56
    DEF 188.68
    dimethyl isosorbide 269.81
    tetrachloroethylene 390.09
    eugenol 111.8
    triacetin 163.63
    span 80 100.74
    1,4-butanediol 80.1
    1,1-dichloroethane 415.19
    2-methyl-1-pentanol 97.17
    methyl formate 156.84
    2-methyl-1-butanol 90.7
    n-decane 3.84
    butyronitrile 133.49
    3,7-dimethyl-1-octanol 48.72
    1-chlorooctane 25.15
    1-chlorotetradecane 11.97
    n-nonane 3.25
    undecane 2.98
    tert-butylcyclohexane 15.11
    cyclooctane 6.95
    cyclopentanol 102.83
    tetrahydropyran 298.19
    tert-amyl methyl ether 148.83
    2,5,8-trioxanonane 331.22
    1-hexene 49.7
    2-isopropoxyethanol 193.62
    2,2,2-trifluoroethanol 144.54
    methyl butyrate 148.35

    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
Fennel, bitter 3a, fruit headspace Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 1.73%
Fennel, bitter 3b, fruit oil 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.05%