Benzene, 1-methoxy-2-(2-propen-1-yloxy)-

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  • Identifiers

    CAS number
    4125-43-3

    Molecular formula
    C10H12O2

    SMILES
    COC1=CC=CC=C1OCC=C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 77.29%
    Spicy 60.71%
    Vanilla 49.04%
    Floral 49.02%
    Anisic 48.07%
    Herbal 45.96%
    Fruity 45.88%
    Green 42.78%
    Woody 39.22%
    Earthy 38.99%

     

    Flavor
    Sweet 73.45%
    Vanilla 51.93%
    Fruity 49.81%
    Floral 49.8%
    Spicy 45.46%
    Creamy 39.86%
    Balsam 39.53%
    Bitter 37.95%
    Chocolate 37.38%
    Powdery 35.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.23 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    242°C

    Flash point

    • 82.51 ˚C est.

  • Synonyms

    • 4125-43-3
    • Benzene, 1-methoxy-2-(2-propenyloxy)-
    • Guaiacol allyl ether
    • 1-methoxy-2-prop-2-enoxybenzene
    • 2-Allyloxyanisole
    • Allyl o-methoxyphenyl ether
    • 1-ALLYLOXY-2-METHOXY-BENZENE
    • Benzene, 1-(allyloxy)-2-methoxy-
    • o-(Allyloxy)anisole
    • o-Methoxyphenyl allyl ether
    • 1-(Allyloxy)-2-methoxybenzene
    • Benzene, 1-methoxy-2-(2-propen-1-yloxy)-
    • EINECS 223-935-8
    • NSC 76097
    • 6SNE2M6TYK
    • 1-Methoxy-2-(2-propen-1-yloxy)benzene
    • AI3-20936
    • DTXSID0063315
    • 1-methoxy-2-(2-propenyloxy)benzene
    • NSC-76097
    • 1-Allyloxy-2-methoxybenzene
    • 1-methoxy-2-(prop-2-en-1-yloxy)benzene
    • Guajacolallylather
    • allyl o-anisyl ether
    • UNII-6SNE2M6TYK
    • 2-Allyloxy-1-methoxybenzene
    • SCHEMBL73345
    • allyl (2-methoxyphenyl) ether
    • CHEMBL2252450
    • DTXCID7039886
    • 1-(Allyloxy)-2-methoxybenzene #
    • NSC76097
    • MFCD00026096
    • AKOS006230160
    • (2-methoxyphenyl) (2-propenyl) ether
    • DB-014131
    • NS00011949
    • InChI=1/C10H12O2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h3-7H,1,8H2,2H
    • 223-935-8

  • Applications

    Benzene, 1-methoxy-2-(2-propen-1-yloxy)- (CAS 4125-43-3) is an aromatic ether that finds practical use across several industries: as an aroma ingredient or fragrance intermediate in perfumery; evaluated for flavor/aroma applications in the food and beverage sector; used in cosmetics and personal care as an odorant or fragrance additive; employed as a solvent or processing aid in industrial manufacturing; serves as a chemical intermediate for the synthesis of anisole derivatives and related polymers/plastics; and may be used as a processing aid or precursor in coatings, inks, or cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 703.02
    methanol 665.11
    isopropanol 515.37
    water 1.93
    ethyl acetate 1897.61
    n-propanol 597.66
    acetone 1995.62
    n-butanol 549.37
    acetonitrile 1898.66
    DMF 1031.73
    toluene 501.11
    isobutanol 480.31
    1,4-dioxane 2192.09
    methyl acetate 1731.77
    THF 1912.75
    2-butanone 1235.5
    n-pentanol 428.32
    sec-butanol 541.91
    n-hexane 207.31
    ethylene glycol 194.8
    NMP 859.8
    cyclohexane 654.11
    DMSO 1456.87
    n-butyl acetate 1166.35
    n-octanol 324.88
    chloroform 4710.76
    n-propyl acetate 1173.55
    acetic acid 1617.14
    dichloromethane 5118.89
    cyclohexanone 1618.59
    propylene glycol 191.64
    isopropyl acetate 713.25
    DMAc 740.4
    2-ethoxyethanol 803.16
    isopentanol 464.2
    n-heptane 202.81
    ethyl formate 1227.1
    1,2-dichloroethane 3013.68
    n-hexanol 472.41
    2-methoxyethanol 987.96
    isobutyl acetate 559.17
    tetrachloromethane 828.73
    n-pentyl acetate 509.0
    transcutol 1733.19
    n-heptanol 244.68
    ethylbenzene 353.51
    MIBK 485.77
    2-propoxyethanol 667.85
    tert-butanol 791.9
    MTBE 842.87
    2-butoxyethanol 394.22
    propionic acid 913.6
    o-xylene 327.92
    formic acid 334.16
    diethyl ether 1362.45
    m-xylene 309.49
    p-xylene 467.86
    chlorobenzene 1091.01
    dimethyl carbonate 514.28
    n-octane 91.48
    formamide 664.87
    cyclopentanone 1591.9
    2-pentanone 938.39
    anisole 724.74
    cyclopentyl methyl ether 882.4
    gamma-butyrolactone 1968.93
    1-methoxy-2-propanol 602.53
    pyridine 1708.91
    3-pentanone 806.67
    furfural 1569.29
    n-dodecane 65.52
    diethylene glycol 480.64
    diisopropyl ether 348.2
    tert-amyl alcohol 635.11
    acetylacetone 1055.49
    n-hexadecane 75.2
    acetophenone 621.91
    methyl propionate 1029.96
    isopentyl acetate 731.31
    trichloroethylene 4864.33
    n-nonanol 278.86
    cyclohexanol 713.11
    benzyl alcohol 476.31
    2-ethylhexanol 358.64
    isooctanol 217.24
    dipropyl ether 671.65
    1,2-dichlorobenzene 915.65
    ethyl lactate 353.11
    propylene carbonate 1295.72
    n-methylformamide 796.84
    2-pentanol 415.86
    n-pentane 188.11
    1-propoxy-2-propanol 513.44
    1-methoxy-2-propyl acetate 589.52
    2-(2-methoxypropoxy) propanol 365.86
    mesitylene 229.37
    ε-caprolactone 1356.79
    p-cymene 233.11
    epichlorohydrin 2395.57
    1,1,1-trichloroethane 2671.02
    2-aminoethanol 308.96
    morpholine-4-carbaldehyde 994.18
    sulfolane 1741.89
    2,2,4-trimethylpentane 93.37
    2-methyltetrahydrofuran 1396.95
    n-hexyl acetate 721.12
    isooctane 72.61
    2-(2-butoxyethoxy)ethanol 530.82
    sec-butyl acetate 561.28
    tert-butyl acetate 643.24
    decalin 174.77
    glycerin 271.32
    diglyme 1229.62
    acrylic acid 808.38
    isopropyl myristate 280.76
    n-butyric acid 1155.03
    acetyl acetate 1144.53
    di(2-ethylhexyl) phthalate 193.96
    ethyl propionate 848.03
    nitromethane 2992.51
    1,2-diethoxyethane 941.29
    benzonitrile 828.0
    trioctyl phosphate 170.48
    1-bromopropane 1457.1
    gamma-valerolactone 1486.67
    n-decanol 210.37
    triethyl phosphate 325.07
    4-methyl-2-pentanol 230.04
    propionitrile 1189.1
    vinylene carbonate 1224.17
    1,1,2-trichlorotrifluoroethane 1295.29
    DMS 604.12
    cumene 229.63
    2-octanol 207.98
    2-hexanone 769.44
    octyl acetate 346.91
    limonene 346.93
    1,2-dimethoxyethane 1578.68
    ethyl orthosilicate 310.6
    tributyl phosphate 233.72
    diacetone alcohol 517.07
    N,N-dimethylaniline 384.25
    acrylonitrile 1409.32
    aniline 569.21
    1,3-propanediol 464.93
    bromobenzene 1292.5
    dibromomethane 3378.28
    1,1,2,2-tetrachloroethane 3374.5
    2-methyl-cyclohexyl acetate 451.08
    tetrabutyl urea 274.28
    diisobutyl methanol 230.7
    2-phenylethanol 400.77
    styrene 512.08
    dioctyl adipate 373.35
    dimethyl sulfate 606.53
    ethyl butyrate 837.35
    methyl lactate 349.92
    butyl lactate 309.23
    diethyl carbonate 636.93
    propanediol butyl ether 329.89
    triethyl orthoformate 483.35
    p-tert-butyltoluene 212.55
    methyl 4-tert-butylbenzoate 397.07
    morpholine 1853.45
    tert-butylamine 540.89
    n-dodecanol 173.27
    dimethoxymethane 938.02
    ethylene carbonate 1120.81
    cyrene 378.3
    2-ethoxyethyl acetate 603.08
    2-ethylhexyl acetate 597.76
    1,2,4-trichlorobenzene 986.15
    4-methylpyridine 1176.04
    dibutyl ether 584.63
    2,6-dimethyl-4-heptanol 230.7
    DEF 946.61
    dimethyl isosorbide 645.76
    tetrachloroethylene 2442.8
    eugenol 361.0
    triacetin 584.53
    span 80 310.56
    1,4-butanediol 239.69
    1,1-dichloroethane 2761.43
    2-methyl-1-pentanol 393.81
    methyl formate 956.51
    2-methyl-1-butanol 446.95
    n-decane 109.86
    butyronitrile 1109.95
    3,7-dimethyl-1-octanol 292.59
    1-chlorooctane 363.62
    1-chlorotetradecane 149.53
    n-nonane 120.14
    undecane 81.15
    tert-butylcyclohexane 133.15
    cyclooctane 187.35
    cyclopentanol 718.87
    tetrahydropyran 2015.75
    tert-amyl methyl ether 557.43
    2,5,8-trioxanonane 711.8
    1-hexene 464.91
    2-isopropoxyethanol 556.41
    2,2,2-trifluoroethanol 528.0
    methyl butyrate 1182.92

    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