1-Methoxy-4-[(2-methylprop-2-en-1-yl)oxy]benzene

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  • Identifiers

    CAS number
    5820-29-1

    Molecular formula
    C11H14O2

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

  • Odor profile

    Fragrance
    Floral 66.63%
    Sweet 65.84%
    Green 57.52%
    Herbal 56.85%
    Spicy 54.7%
    Anisic 45.94%
    Earthy 42.37%
    Woody 38.64%
    Phenolic 36.08%
    Fresh 34.57%

     

    Flavor
    Sweet 53.88%
    Fruity 51.14%
    Spicy 41.63%
    Floral 36.81%
    Green 35.32%
    Bitter 29.86%
    Balsam 29.01%
    Vanilla 28.62%
    Herbal 27.29%
    Woody 27.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.37 (weak base)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 89.34 ˚C est.

  • Synonyms

    • 1-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]benzene
    • 5820-29-1
    • 4-(2-Methylallyloxy)anisole
    • NSC86591
    • SCHEMBL1072731
    • DTXSID20292965
    • KGSKQHHVHRPVJG-UHFFFAOYSA-N
    • NSC-86591

  • Applications

    1-Methoxy-4-[(2-methylprop-2-en-1-yl)oxy]benzene (CAS 5820-29-1) is regarded as an intermediate and fragrance ingredient used in the fragrance and cosmetics industries; in perfumery it helps create and enhance aroma and may contribute to odor longevity; in cosmetics and personal care, it can serve as a fragrance ingredient or solvent aiding formulation; in household products and cleaning, it provides fragrance enhancement for cleaners and air fresheners; in industrial manufacturing, it is commonly evaluated as a synthetic intermediate for aroma compounds and related intermediates; in coatings and inks, it may act as a solvent or processing intermediate for formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1088.05
    methanol 745.56
    isopropanol 779.2
    water 1.24
    ethyl acetate 2462.32
    n-propanol 763.46
    acetone 538.38
    n-butanol 727.95
    acetonitrile 1254.1
    DMF 195.54
    toluene 396.67
    isobutanol 445.06
    1,4-dioxane 2212.75
    methyl acetate 1415.46
    THF 1466.51
    2-butanone 803.35
    n-pentanol 560.23
    sec-butanol 710.65
    n-hexane 78.69
    ethylene glycol 210.22
    NMP 130.96
    cyclohexane 129.75
    DMSO 528.89
    n-butyl acetate 849.08
    n-octanol 217.81
    chloroform 2589.92
    n-propyl acetate 814.09
    acetic acid 1004.9
    dichloromethane 2471.81
    cyclohexanone 532.5
    propylene glycol 360.68
    isopropyl acetate 900.07
    DMAc 424.65
    2-ethoxyethanol 1374.37
    isopentanol 580.55
    n-heptane 81.58
    ethyl formate 706.7
    1,2-dichloroethane 1143.1
    n-hexanol 554.57
    2-methoxyethanol 1389.42
    isobutyl acetate 431.58
    tetrachloromethane 285.55
    n-pentyl acetate 310.2
    transcutol 2673.0
    n-heptanol 208.85
    ethylbenzene 248.53
    MIBK 373.42
    2-propoxyethanol 994.01
    tert-butanol 1133.94
    MTBE 1118.39
    2-butoxyethanol 454.71
    propionic acid 603.17
    o-xylene 226.81
    formic acid 246.05
    diethyl ether 1623.88
    m-xylene 231.17
    p-xylene 309.0
    chlorobenzene 410.14
    dimethyl carbonate 296.42
    n-octane 37.23
    formamide 402.98
    cyclopentanone 385.78
    2-pentanone 621.91
    anisole 611.69
    cyclopentyl methyl ether 579.9
    gamma-butyrolactone 590.36
    1-methoxy-2-propanol 970.25
    pyridine 955.28
    3-pentanone 494.82
    furfural 732.55
    n-dodecane 33.13
    diethylene glycol 672.81
    diisopropyl ether 312.59
    tert-amyl alcohol 904.28
    acetylacetone 781.98
    n-hexadecane 36.25
    acetophenone 433.48
    methyl propionate 845.49
    isopentyl acetate 670.66
    trichloroethylene 1967.59
    n-nonanol 203.57
    cyclohexanol 481.54
    benzyl alcohol 429.21
    2-ethylhexanol 361.18
    isooctanol 173.12
    dipropyl ether 581.37
    1,2-dichlorobenzene 362.64
    ethyl lactate 295.21
    propylene carbonate 511.48
    n-methylformamide 235.32
    2-pentanol 563.37
    n-pentane 71.71
    1-propoxy-2-propanol 664.32
    1-methoxy-2-propyl acetate 712.94
    2-(2-methoxypropoxy) propanol 461.02
    mesitylene 136.59
    ε-caprolactone 677.33
    p-cymene 150.41
    epichlorohydrin 1319.35
    1,1,1-trichloroethane 1143.31
    2-aminoethanol 426.08
    morpholine-4-carbaldehyde 674.11
    sulfolane 397.19
    2,2,4-trimethylpentane 56.21
    2-methyltetrahydrofuran 1151.29
    n-hexyl acetate 418.58
    isooctane 38.9
    2-(2-butoxyethoxy)ethanol 674.47
    sec-butyl acetate 562.61
    tert-butyl acetate 748.54
    decalin 73.43
    glycerin 385.96
    diglyme 1405.09
    acrylic acid 428.92
    isopropyl myristate 191.31
    n-butyric acid 962.02
    acetyl acetate 1129.13
    di(2-ethylhexyl) phthalate 151.05
    ethyl propionate 729.52
    nitromethane 1103.66
    1,2-diethoxyethane 1206.51
    benzonitrile 427.2
    trioctyl phosphate 102.59
    1-bromopropane 778.5
    gamma-valerolactone 722.03
    n-decanol 156.41
    triethyl phosphate 239.6
    4-methyl-2-pentanol 268.51
    propionitrile 738.23
    vinylene carbonate 476.53
    1,1,2-trichlorotrifluoroethane 836.36
    DMS 415.87
    cumene 157.8
    2-octanol 138.86
    2-hexanone 515.8
    octyl acetate 224.93
    limonene 213.02
    1,2-dimethoxyethane 1583.01
    ethyl orthosilicate 263.77
    tributyl phosphate 151.83
    diacetone alcohol 610.4
    N,N-dimethylaniline 321.03
    acrylonitrile 663.89
    aniline 461.75
    1,3-propanediol 711.44
    bromobenzene 467.38
    dibromomethane 1566.76
    1,1,2,2-tetrachloroethane 1520.47
    2-methyl-cyclohexyl acetate 357.49
    tetrabutyl urea 162.18
    diisobutyl methanol 203.53
    2-phenylethanol 383.55
    styrene 321.19
    dioctyl adipate 271.59
    dimethyl sulfate 244.81
    ethyl butyrate 697.9
    methyl lactate 294.48
    butyl lactate 203.58
    diethyl carbonate 498.38
    propanediol butyl ether 335.39
    triethyl orthoformate 430.9
    p-tert-butyltoluene 150.64
    methyl 4-tert-butylbenzoate 305.33
    morpholine 1992.87
    tert-butylamine 659.21
    n-dodecanol 129.01
    dimethoxymethane 625.23
    ethylene carbonate 461.91
    cyrene 294.2
    2-ethoxyethyl acetate 567.29
    2-ethylhexyl acetate 481.97
    1,2,4-trichlorobenzene 438.65
    4-methylpyridine 703.14
    dibutyl ether 433.2
    2,6-dimethyl-4-heptanol 203.53
    DEF 561.06
    dimethyl isosorbide 620.44
    tetrachloroethylene 907.91
    eugenol 302.11
    triacetin 468.92
    span 80 326.9
    1,4-butanediol 315.94
    1,1-dichloroethane 1231.89
    2-methyl-1-pentanol 511.58
    methyl formate 222.12
    2-methyl-1-butanol 521.59
    n-decane 53.87
    butyronitrile 772.96
    3,7-dimethyl-1-octanol 257.85
    1-chlorooctane 181.7
    1-chlorotetradecane 79.33
    n-nonane 52.67
    undecane 40.47
    tert-butylcyclohexane 78.01
    cyclooctane 46.08
    cyclopentanol 330.24
    tetrahydropyran 1490.06
    tert-amyl methyl ether 702.67
    2,5,8-trioxanonane 849.16
    1-hexene 326.15
    2-isopropoxyethanol 855.42
    2,2,2-trifluoroethanol 307.65
    methyl butyrate 811.33

    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