Benzene, (2-methoxy-1-propenyl)-

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  • Identifiers

    CAS number
    10577-44-3

    Molecular formula
    C10H12O

    SMILES
    CC(=CC1=CC=CC=C1)OC

  • Odor profile

    Floral 69.36%
    Sweet 66.97%
    Green 58.22%
    Fruity 49.31%
    Spicy 43.03%
    Rose 42.26%
    Anisic 37.96%
    Hyacinth 37.33%
    Herbal 35.61%
    Fresh 33.44%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    210°C

    Flash point est.
    72.13 ˚C

  • Synonyms

    • Benzene, (2-methoxy-1-propenyl)-
    • 10573-32-7
    • (2-Methoxy-propenyl)-benzene
    • 2-methoxy-1-phenyl-1-propene
    • DTXSID20395248

  • Applications

    Benzene, (2-methoxy-1-propenyl)- (CAS 10577-44-3) is primarily used as an intermediate and synthetic building block in fine and industrial organic chemistry: a starting material for preparing aroma chemicals and flavor additives with an aromatic core, a precursor for pharmaceuticals and agrochemicals via transformations such as hydrogenation, oxidation, chain editing, and catalysis that leverage its propenyl and enol ether features; a reference/standard for analytical method development (GC-MS/LC-MS) and impurity control; a model substrate for mechanistic studies (e.g., electrophilic additions, metathesis, hydrofunctionalization, cross-coupling) and for crafting functionalized derivatives for specialty materials, with specific uses dictated by purity grade and safety/regulatory requirements.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1489.97
    methanol 894.81
    isopropanol 1240.64
    water 5.32
    ethyl acetate 1124.16
    n-propanol 1310.18
    acetone 1055.56
    n-butanol 1057.88
    acetonitrile 1512.56
    DMF 1113.06
    toluene 695.3
    isobutanol 866.23
    1,4-dioxane 2664.23
    methyl acetate 1119.58
    THF 1404.36
    2-butanone 951.34
    n-pentanol 587.39
    sec-butanol 1090.26
    n-hexane 226.21
    ethylene glycol 556.85
    NMP 646.55
    cyclohexane 476.67
    DMSO 1270.38
    n-butyl acetate 410.29
    n-octanol 302.62
    chloroform 4312.96
    n-propyl acetate 385.82
    acetic acid 985.96
    dichloromethane 3073.27
    cyclohexanone 927.58
    propylene glycol 876.81
    isopropyl acetate 407.49
    DMAc 926.58
    2-ethoxyethanol 840.37
    isopentanol 613.99
    n-heptane 202.4
    ethyl formate 566.11
    1,2-dichloroethane 1476.98
    n-hexanol 692.59
    2-methoxyethanol 1382.62
    isobutyl acetate 217.18
    tetrachloromethane 593.72
    n-pentyl acetate 228.54
    transcutol 1797.39
    n-heptanol 264.57
    ethylbenzene 301.91
    MIBK 289.39
    2-propoxyethanol 903.47
    tert-butanol 1204.11
    MTBE 827.01
    2-butoxyethanol 425.74
    propionic acid 930.07
    o-xylene 376.01
    formic acid 265.38
    diethyl ether 1262.82
    m-xylene 337.59
    p-xylene 334.02
    chlorobenzene 600.55
    dimethyl carbonate 326.73
    n-octane 66.68
    formamide 424.44
    cyclopentanone 814.07
    2-pentanone 641.21
    anisole 590.17
    cyclopentyl methyl ether 712.31
    gamma-butyrolactone 958.13
    1-methoxy-2-propanol 1010.21
    pyridine 1516.89
    3-pentanone 614.28
    furfural 857.9
    n-dodecane 53.02
    diethylene glycol 722.46
    diisopropyl ether 241.96
    tert-amyl alcohol 876.2
    acetylacetone 563.96
    n-hexadecane 57.58
    acetophenone 394.47
    methyl propionate 799.28
    isopentyl acetate 302.93
    trichloroethylene 2441.48
    n-nonanol 262.12
    cyclohexanol 904.77
    benzyl alcohol 460.27
    2-ethylhexanol 325.89
    isooctanol 194.61
    dipropyl ether 528.27
    1,2-dichlorobenzene 457.05
    ethyl lactate 249.44
    propylene carbonate 503.01
    n-methylformamide 610.74
    2-pentanol 674.14
    n-pentane 246.79
    1-propoxy-2-propanol 585.8
    1-methoxy-2-propyl acetate 429.25
    2-(2-methoxypropoxy) propanol 386.08
    mesitylene 182.59
    ε-caprolactone 740.33
    p-cymene 154.43
    epichlorohydrin 1350.02
    1,1,1-trichloroethane 1616.75
    2-aminoethanol 966.28
    morpholine-4-carbaldehyde 987.61
    sulfolane 771.22
    2,2,4-trimethylpentane 75.01
    2-methyltetrahydrofuran 1215.46
    n-hexyl acetate 394.49
    isooctane 58.29
    2-(2-butoxyethoxy)ethanol 559.4
    sec-butyl acetate 254.45
    tert-butyl acetate 354.85
    decalin 125.11
    glycerin 759.35
    diglyme 996.23
    acrylic acid 699.26
    isopropyl myristate 179.88
    n-butyric acid 933.61
    acetyl acetate 524.07
    di(2-ethylhexyl) phthalate 149.49
    ethyl propionate 381.01
    nitromethane 1162.08
    1,2-diethoxyethane 609.63
    benzonitrile 508.74
    trioctyl phosphate 108.07
    1-bromopropane 1066.15
    gamma-valerolactone 986.88
    n-decanol 205.01
    triethyl phosphate 177.13
    4-methyl-2-pentanol 247.31
    propionitrile 1043.03
    vinylene carbonate 582.4
    1,1,2-trichlorotrifluoroethane 1028.63
    DMS 360.91
    cumene 177.09
    2-octanol 176.25
    2-hexanone 370.69
    octyl acetate 231.6
    limonene 250.89
    1,2-dimethoxyethane 1071.82
    ethyl orthosilicate 179.97
    tributyl phosphate 131.45
    diacetone alcohol 430.38
    N,N-dimethylaniline 354.28
    acrylonitrile 1048.83
    aniline 818.37
    1,3-propanediol 933.78
    bromobenzene 651.33
    dibromomethane 2124.06
    1,1,2,2-tetrachloroethane 2123.4
    2-methyl-cyclohexyl acetate 246.36
    tetrabutyl urea 169.32
    diisobutyl methanol 180.3
    2-phenylethanol 372.65
    styrene 416.87
    dioctyl adipate 237.38
    dimethyl sulfate 424.69
    ethyl butyrate 351.62
    methyl lactate 386.91
    butyl lactate 205.51
    diethyl carbonate 274.97
    propanediol butyl ether 422.66
    triethyl orthoformate 252.3
    p-tert-butyltoluene 151.61
    methyl 4-tert-butylbenzoate 307.82
    morpholine 2591.46
    tert-butylamine 821.46
    n-dodecanol 169.05
    dimethoxymethane 789.8
    ethylene carbonate 484.96
    cyrene 298.6
    2-ethoxyethyl acetate 350.21
    2-ethylhexyl acetate 248.12
    1,2,4-trichlorobenzene 564.0
    4-methylpyridine 1129.82
    dibutyl ether 367.1
    2,6-dimethyl-4-heptanol 180.3
    DEF 725.66
    dimethyl isosorbide 488.64
    tetrachloroethylene 1281.99
    eugenol 320.01
    triacetin 404.49
    span 80 353.7
    1,4-butanediol 402.48
    1,1-dichloroethane 1875.19
    2-methyl-1-pentanol 393.99
    methyl formate 472.1
    2-methyl-1-butanol 681.0
    n-decane 83.26
    butyronitrile 851.23
    3,7-dimethyl-1-octanol 254.09
    1-chlorooctane 243.21
    1-chlorotetradecane 106.3
    n-nonane 90.46
    undecane 63.03
    tert-butylcyclohexane 108.85
    cyclooctane 140.79
    cyclopentanol 768.34
    tetrahydropyran 2098.62
    tert-amyl methyl ether 549.06
    2,5,8-trioxanonane 689.93
    1-hexene 519.82
    2-isopropoxyethanol 523.12
    2,2,2-trifluoroethanol 320.07
    methyl butyrate 465.24

    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
Ziziphora tenuior (Turkey) Ziziphora tenuior L.(Z.acutifolia Montbret & Aucher ex Bentham), Lamiaceae 0.04%