Allyl phenyl ether

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  • Identifiers

    CAS number
    1746-13-0

    Molecular formula
    C9H10O

    SMILES
    C=CCOC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 62.84%
    Sweet 59.09%
    Green 59.05%
    Floral 58.45%
    Spicy 47.12%
    Anisic 44.42%
    Herbal 41.35%
    Cherry 37.67%
    Fresh 35.59%
    Almond 33.8%

     

    Flavor
    Floral 54.72%
    Sweet 54.28%
    Green 48.04%
    Spicy 43.98%
    Balsam 42.24%
    Hyacinth 41.84%
    Bitter 41.63%
    Fruity 36.55%
    Almond 35.43%
    Cinnamon 33.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.6 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 60.44 ˚C est.

  • Synonyms

    • Allyl phenyl ether
    • 1746-13-0
    • (allyloxy)benzene
    • Allyloxybenzene
    • Phenyl allyl ether
    • Benzene, (2-propenyloxy)-
    • Ether, allyl phenyl
    • Phenylpropenyl ether
    • Benzene, (2-propen-1-yloxy)-
    • Allyl phenoxylate
    • 3-Phenoxypropene
    • Phenyl 2-propenyl ether
    • prop-2-enoxybenzene
    • USAF DO-23
    • (2-Propenyloxy)benzene
    • NSC 4746
    • EINECS 217-125-3
    • UNII-26S07OSX4O
    • BRN 1905622
    • 3-phenoxy-1-propene
    • AI3-03143
    • NSC-4746
    • Benzene, 2-propenyloxy-
    • phenyl (2-propenyl) ether
    • 1-PHENOXY-2-PROPENE
    • (prop-2-en-1-yloxy)benzene
    • 26S07OSX4O
    • DTXSID6061943
    • 1-(2-PROPENYLOXY)BENZENE
    • 4-06-00-00562 (Beilstein Handbook Reference)
    • AllylPhenylEther-d5
    • (2-propenyloxy)-benzen
    • phenylallylether
    • allylphenyl ether
    • phenol allyl ether
    • phenol allyl-ether
    • MFCD00008644
    • (prop-2-enyloxy)-benzene
    • 2-Propen-1-yloxy-benzene
    • Allyl phenyl ether, 99%
    • WLN: 1U2OR
    • phenyl 2-propen-1-yl ether
    • SCHEMBL88417
    • DTXCID7035561
    • SCHEMBL13158917
    • NSC4746
    • AKOS002710534
    • CS-W013371
    • FA35956
    • DB-050490
    • A0234
    • NS00025738
    • Allyl phenyl ether, puriss., >=98.5% (GC)
    • D77750
    • EN300-113483
    • Q4733437
    • 217-125-3

  • Applications

    Allyl phenyl ether (CAS 1746-13-0) is primarily employed as an organic synthesis intermediate, acting as a precursor for the preparation of other aryl ether derivatives and for functionalization steps in multi-step routes. It can also serve as a protecting group for phenolic functionality in complex syntheses, with deprotection typically achieved under allyl-cleavage conditions. The allyl moiety enables it to function as a reactive monomer or crosslinking component in polymers, coatings, inks, and adhesives, supporting radical or cationic polymerization and network formation. In fragrance and flavor chemistry, it may be considered as an odorant or fragrance intermediate, and additional derivative routes are explored in research settings. Actual use is determined by formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1087.49
    methanol 676.12
    isopropanol 799.41
    water 0.64
    ethyl acetate 1595.02
    n-propanol 806.98
    acetone 1089.64
    n-butanol 840.73
    acetonitrile 1432.17
    DMF 587.61
    toluene 646.97
    isobutanol 637.18
    1,4-dioxane 2011.93
    methyl acetate 1351.27
    THF 1770.51
    2-butanone 1161.18
    n-pentanol 681.01
    sec-butanol 852.02
    n-hexane 603.85
    ethylene glycol 171.49
    NMP 502.43
    cyclohexane 779.98
    DMSO 1362.42
    n-butyl acetate 1648.46
    n-octanol 525.15
    chloroform 3952.44
    n-propyl acetate 1113.15
    acetic acid 968.5
    dichloromethane 4147.19
    cyclohexanone 1115.74
    propylene glycol 245.16
    isopropyl acetate 646.86
    DMAc 651.67
    2-ethoxyethanol 751.43
    isopentanol 667.02
    n-heptane 566.51
    ethyl formate 734.9
    1,2-dichloroethane 2094.84
    n-hexanol 989.21
    2-methoxyethanol 859.76
    isobutyl acetate 577.9
    tetrachloromethane 617.88
    n-pentyl acetate 557.45
    transcutol 3009.33
    n-heptanol 370.41
    ethylbenzene 471.6
    MIBK 475.46
    2-propoxyethanol 999.79
    tert-butanol 959.67
    MTBE 1054.14
    2-butoxyethanol 496.45
    propionic acid 790.37
    o-xylene 372.86
    formic acid 143.07
    diethyl ether 1766.62
    m-xylene 356.44
    p-xylene 524.98
    chlorobenzene 875.26
    dimethyl carbonate 328.54
    n-octane 171.97
    formamide 280.05
    cyclopentanone 975.98
    2-pentanone 841.51
    anisole 783.33
    cyclopentyl methyl ether 893.48
    gamma-butyrolactone 1100.3
    1-methoxy-2-propanol 653.29
    pyridine 1502.96
    3-pentanone 731.5
    furfural 896.65
    n-dodecane 125.35
    diethylene glycol 527.42
    diisopropyl ether 442.37
    tert-amyl alcohol 912.79
    acetylacetone 754.9
    n-hexadecane 136.95
    acetophenone 603.39
    methyl propionate 846.63
    isopentyl acetate 1001.85
    trichloroethylene 3135.45
    n-nonanol 440.87
    cyclohexanol 725.06
    benzyl alcohol 451.18
    2-ethylhexanol 712.05
    isooctanol 309.72
    dipropyl ether 1497.78
    1,2-dichlorobenzene 698.89
    ethyl lactate 340.11
    propylene carbonate 826.37
    n-methylformamide 371.68
    2-pentanol 673.87
    n-pentane 432.14
    1-propoxy-2-propanol 839.01
    1-methoxy-2-propyl acetate 713.58
    2-(2-methoxypropoxy) propanol 611.76
    mesitylene 241.92
    ε-caprolactone 1035.83
    p-cymene 320.79
    epichlorohydrin 1650.0
    1,1,1-trichloroethane 1912.19
    2-aminoethanol 319.17
    morpholine-4-carbaldehyde 775.49
    sulfolane 1156.82
    2,2,4-trimethylpentane 138.96
    2-methyltetrahydrofuran 1589.15
    n-hexyl acetate 921.68
    isooctane 120.35
    2-(2-butoxyethoxy)ethanol 801.98
    sec-butyl acetate 595.47
    tert-butyl acetate 561.93
    decalin 249.1
    glycerin 267.65
    diglyme 1473.72
    acrylic acid 554.41
    isopropyl myristate 402.46
    n-butyric acid 1030.2
    acetyl acetate 776.3
    di(2-ethylhexyl) phthalate 260.96
    ethyl propionate 855.8
    nitromethane 1281.4
    1,2-diethoxyethane 1532.93
    benzonitrile 737.25
    trioctyl phosphate 218.37
    1-bromopropane 1779.14
    gamma-valerolactone 895.1
    n-decanol 354.52
    triethyl phosphate 354.17
    4-methyl-2-pentanol 345.43
    propionitrile 1057.18
    vinylene carbonate 720.3
    1,1,2-trichlorotrifluoroethane 876.21
    DMS 581.66
    cumene 295.46
    2-octanol 292.11
    2-hexanone 934.3
    octyl acetate 476.74
    limonene 490.44
    1,2-dimethoxyethane 1456.26
    ethyl orthosilicate 360.42
    tributyl phosphate 307.08
    diacetone alcohol 515.44
    N,N-dimethylaniline 471.71
    acrylonitrile 987.74
    aniline 570.25
    1,3-propanediol 451.87
    bromobenzene 1116.12
    dibromomethane 3148.91
    1,1,2,2-tetrachloroethane 2323.75
    2-methyl-cyclohexyl acetate 550.33
    tetrabutyl urea 378.4
    diisobutyl methanol 370.71
    2-phenylethanol 478.09
    styrene 654.56
    dioctyl adipate 512.19
    dimethyl sulfate 402.65
    ethyl butyrate 1145.15
    methyl lactate 277.94
    butyl lactate 379.95
    diethyl carbonate 743.68
    propanediol butyl ether 489.68
    triethyl orthoformate 635.29
    p-tert-butyltoluene 283.14
    methyl 4-tert-butylbenzoate 454.17
    morpholine 1669.11
    tert-butylamine 782.65
    n-dodecanol 305.02
    dimethoxymethane 700.06
    ethylene carbonate 646.04
    cyrene 361.45
    2-ethoxyethyl acetate 657.18
    2-ethylhexyl acetate 817.13
    1,2,4-trichlorobenzene 774.91
    4-methylpyridine 1085.55
    dibutyl ether 1086.74
    2,6-dimethyl-4-heptanol 370.71
    DEF 834.14
    dimethyl isosorbide 760.36
    tetrachloroethylene 1481.14
    eugenol 430.24
    triacetin 676.59
    span 80 508.37
    1,4-butanediol 252.14
    1,1-dichloroethane 2207.76
    2-methyl-1-pentanol 602.68
    methyl formate 335.9
    2-methyl-1-butanol 666.98
    n-decane 201.26
    butyronitrile 1131.86
    3,7-dimethyl-1-octanol 506.66
    1-chlorooctane 562.32
    1-chlorotetradecane 244.91
    n-nonane 228.28
    undecane 153.35
    tert-butylcyclohexane 214.92
    cyclooctane 256.22
    cyclopentanol 644.3
    tetrahydropyran 2087.87
    tert-amyl methyl ether 743.86
    2,5,8-trioxanonane 1003.56
    1-hexene 1224.23
    2-isopropoxyethanol 579.66
    2,2,2-trifluoroethanol 232.36
    methyl butyrate 1083.67

    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