2-((4-Methoxyphenyl)methyl)oxirane

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  • Identifiers

    CAS number
    51410-45-8

    Molecular formula
    C10H12O2

    SMILES
    COC1=CC=C(C=C1)CC2CO2

    Safety labels

  • Odor profile

    Fragrance
    Floral 78.53%
    Sweet 52.84%
    Green 48.15%
    Fruity 42.92%
    Rose 39.5%
    Anisic 38.66%
    Fresh 34.41%
    Earthy 32.68%
    Hyacinth 31.7%
    Aromatic 31.63%

     

    Flavor
    Sweet 71.33%
    Floral 52.7%
    Bitter 39.21%
    Spicy 37.91%
    Fruity 35.19%
    Rose 34.53%
    Green 32.76%
    Earthy 32.05%
    Balsam 28.0%
    Flower 27.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.68 (weak acid)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 104.32 ˚C est.

  • Synonyms

    • 2-[(4-methoxyphenyl)methyl]oxirane
    • 51410-45-8
    • Estragole-2',3'-oxide
    • ((4-Methoxyphenyl)methyl)oxirane
    • DTXSID80965724
    • 7K4661R4JM
    • 2-((4-Methoxyphenyl)methyl)oxirane
    • estragole 2',3'-epoxide
    • RefChem:909000
    • DTXCID801393387
    • p-Methoxyphenylpropylene oxide
    • Estragole oxide
    • 3-(p-methoxyphenyl)propylene-1,2-oxide
    • Estragole 2',3'-oxide
    • p-(2,3-Epoxypropyl)anisole
    • CCRIS 1140
    • 2',3'-Epoxyestragol [French]
    • 2',3'-Epoxyestragol
    • BRN 0117209
    • UNII-7K4661R4JM
    • 2-(4-methoxy-benzyl)-oxirane
    • 2-(4-METHOXYBENZYL)OXIRANE
    • Oxirane, ((4-methoxyphenyl)methyl)-
    • ANISOLE, p-(2,3-EPOXYPROPYL)-
    • 0-17-00-00115 (Beilstein Handbook Reference)
    • 2-(4-Methoxybenzyl)-oxirane
    • SCHEMBL4494269
    • SCHEMBL4821864
    • 4-methoxyphenyl-2,3-epoxypropane
    • 4-ALLYLMETHOXYBENZENE OXIDE
    • MFCD00869840
    • AKOS006273155
    • SY305568
    • EN300-78155
    • F75196
    • OXIRANE, 2-((4-METHOXYPHENYL)METHYL)-
    • F515406
    • Q27268442
    • F8885-0877
    • 3-(P-METHOXYPHENYL)PROPYLENE-1,2-OXIDE, (+/-)-
    • 51410-45-8

  • Applications

    2-((4-Methoxyphenyl)methyl)oxirane, CAS 51410-45-8, is primarily used as an intermediate in epoxy resin synthesis and as a reactive diluent for epoxy formulations; it also functions as a crosslinking component in coatings, inks, and adhesives, and serves as a precursor for specialty polymers and resins with tailored properties; in electronics, epoxy formulations containing it may be used for encapsulation/potting of components and assemblies; these applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 344.02
    methanol 318.15
    isopropanol 183.08
    water 0.37
    ethyl acetate 368.61
    n-propanol 213.94
    acetone 222.19
    n-butanol 152.15
    acetonitrile 394.8
    DMF 127.28
    toluene 142.41
    isobutanol 100.32
    1,4-dioxane 859.05
    methyl acetate 334.51
    THF 405.84
    2-butanone 231.05
    n-pentanol 119.24
    sec-butanol 138.74
    n-hexane 6.74
    ethylene glycol 165.81
    NMP 68.46
    cyclohexane 19.28
    DMSO 445.25
    n-butyl acetate 112.01
    n-octanol 25.19
    chloroform 844.93
    n-propyl acetate 130.58
    acetic acid 318.44
    dichloromethane 832.89
    cyclohexanone 174.85
    propylene glycol 185.43
    isopropyl acetate 130.77
    DMAc 159.23
    2-ethoxyethanol 420.02
    isopentanol 100.71
    n-heptane 7.77
    ethyl formate 133.84
    1,2-dichloroethane 529.42
    n-hexanol 93.85
    2-methoxyethanol 557.32
    isobutyl acetate 73.33
    tetrachloromethane 71.69
    n-pentyl acetate 41.13
    transcutol 833.96
    n-heptanol 28.4
    ethylbenzene 48.16
    MIBK 84.81
    2-propoxyethanol 264.52
    tert-butanol 202.42
    MTBE 154.44
    2-butoxyethanol 88.0
    propionic acid 182.19
    o-xylene 61.27
    formic acid 157.89
    diethyl ether 292.74
    m-xylene 63.1
    p-xylene 48.99
    chlorobenzene 138.61
    dimethyl carbonate 80.86
    n-octane 2.81
    formamide 238.89
    cyclopentanone 158.42
    2-pentanone 141.95
    anisole 158.41
    cyclopentyl methyl ether 143.36
    gamma-butyrolactone 208.86
    1-methoxy-2-propanol 305.45
    pyridine 425.1
    3-pentanone 128.04
    furfural 262.18
    n-dodecane 3.11
    diethylene glycol 307.86
    diisopropyl ether 44.78
    tert-amyl alcohol 117.79
    acetylacetone 192.12
    n-hexadecane 3.58
    acetophenone 107.79
    methyl propionate 212.08
    isopentyl acetate 88.74
    trichloroethylene 746.67
    n-nonanol 26.22
    cyclohexanol 108.11
    benzyl alcohol 134.55
    2-ethylhexanol 49.57
    isooctanol 25.12
    dipropyl ether 80.32
    1,2-dichlorobenzene 107.98
    ethyl lactate 70.0
    propylene carbonate 107.04
    n-methylformamide 139.34
    2-pentanol 88.98
    n-pentane 7.24
    1-propoxy-2-propanol 144.16
    1-methoxy-2-propyl acetate 166.5
    2-(2-methoxypropoxy) propanol 121.2
    mesitylene 34.76
    ε-caprolactone 167.85
    p-cymene 30.48
    epichlorohydrin 507.41
    1,1,1-trichloroethane 297.21
    2-aminoethanol 216.25
    morpholine-4-carbaldehyde 259.68
    sulfolane 181.98
    2,2,4-trimethylpentane 6.52
    2-methyltetrahydrofuran 258.13
    n-hexyl acetate 54.09
    isooctane 5.56
    2-(2-butoxyethoxy)ethanol 171.43
    sec-butyl acetate 82.27
    tert-butyl acetate 115.37
    decalin 10.28
    glycerin 233.96
    diglyme 342.23
    acrylic acid 162.96
    isopropyl myristate 28.21
    n-butyric acid 196.31
    acetyl acetate 179.62
    di(2-ethylhexyl) phthalate 33.24
    ethyl propionate 114.06
    nitromethane 464.95
    1,2-diethoxyethane 221.31
    benzonitrile 127.45
    trioctyl phosphate 19.18
    1-bromopropane 207.52
    gamma-valerolactone 309.65
    n-decanol 21.73
    triethyl phosphate 49.45
    4-methyl-2-pentanol 48.13
    propionitrile 213.73
    vinylene carbonate 125.54
    1,1,2-trichlorotrifluoroethane 318.65
    DMS 99.02
    cumene 30.45
    2-octanol 14.75
    2-hexanone 96.01
    octyl acetate 33.11
    limonene 39.09
    1,2-dimethoxyethane 408.45
    ethyl orthosilicate 47.91
    tributyl phosphate 28.73
    diacetone alcohol 140.82
    N,N-dimethylaniline 69.15
    acrylonitrile 264.78
    aniline 174.09
    1,3-propanediol 284.85
    bromobenzene 144.22
    dibromomethane 492.51
    1,1,2,2-tetrachloroethane 510.89
    2-methyl-cyclohexyl acetate 65.43
    tetrabutyl urea 33.41
    diisobutyl methanol 36.64
    2-phenylethanol 103.23
    styrene 72.46
    dioctyl adipate 48.26
    dimethyl sulfate 94.57
    ethyl butyrate 89.8
    methyl lactate 99.61
    butyl lactate 41.93
    diethyl carbonate 78.58
    propanediol butyl ether 78.86
    triethyl orthoformate 70.36
    p-tert-butyltoluene 29.4
    methyl 4-tert-butylbenzoate 69.04
    morpholine 775.6
    tert-butylamine 96.77
    n-dodecanol 18.3
    dimethoxymethane 240.32
    ethylene carbonate 116.33
    cyrene 92.66
    2-ethoxyethyl acetate 116.16
    2-ethylhexyl acetate 67.02
    1,2,4-trichlorobenzene 132.23
    4-methylpyridine 215.72
    dibutyl ether 48.35
    2,6-dimethyl-4-heptanol 36.64
    DEF 128.28
    dimethyl isosorbide 152.88
    tetrachloroethylene 307.11
    eugenol 72.38
    triacetin 93.62
    span 80 70.83
    1,4-butanediol 113.25
    1,1-dichloroethane 390.3
    2-methyl-1-pentanol 82.32
    methyl formate 103.61
    2-methyl-1-butanol 83.26
    n-decane 4.5
    butyronitrile 150.44
    3,7-dimethyl-1-octanol 39.02
    1-chlorooctane 21.82
    1-chlorotetradecane 10.95
    n-nonane 3.91
    undecane 3.64
    tert-butylcyclohexane 9.2
    cyclooctane 6.4
    cyclopentanol 98.92
    tetrahydropyran 427.15
    tert-amyl methyl ether 96.55
    2,5,8-trioxanonane 231.08
    1-hexene 34.98
    2-isopropoxyethanol 219.28
    2,2,2-trifluoroethanol 99.49
    methyl butyrate 119.01

    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