(3-Methoxy-2-methylpropyl)benzene

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  • Identifiers

    CAS number
    120811-92-9

    Molecular formula
    C11H16O

    SMILES
    CC(CC1=CC=CC=C1)COC

  • Odor profile

    Fragrance
    Floral 87.91%
    Green 83.08%
    Fruity 69.5%
    Rose 56.71%
    Hyacinth 45.01%
    Tropical 37.48%
    Fresh 37.44%
    Earthy 33.93%
    Jasmin 33.45%
    Sweet 32.47%

     

    Flavor
    Green 66.33%
    Floral 60.59%
    Rose 41.86%
    Sweet 41.58%
    Earthy 36.88%
    Fruity 36.11%
    Hyacinth 31.73%
    Spicy 31.11%
    Bitter 29.59%
    Herbal 28.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.7 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 83.42 ˚C est.

  • Synonyms

    • 120811-92-9
    • (3-METHOXY-2-METHYLPROPYL)BENZENE
    • Benzene,(3-methoxy-2-methylpropyl)-
    • Benzene, (3-methoxy-2-methylpropyl)-
    • DTXSID0051318
    • SCHEMBL2355328
    • DTXCID5029920
    • 1-methoxy-2-methyl-3-phenylpropane
    • 430-150-6
    • Centifolether

  • Applications

    For (3-Methoxy-2-methylpropyl)benzene (CAS 120811-92-9), practical applications are mainly in fragrance/perfumery as an aroma compound, in cosmetics/personal care as a fragrance ingredient, in household products as a fragrance additive for cleaners and air fresheners, and as an intermediate in industrial manufacturing for the synthesis of related aromatic compounds; it may also be used as an odorant and fragrance precursor in fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7431.86
    methanol 6514.17
    isopropanol 4098.53
    water 1.27
    ethyl acetate 5853.32
    n-propanol 4748.09
    acetone 4478.3
    n-butanol 5013.18
    acetonitrile 4780.56
    DMF 2049.43
    toluene 1594.07
    isobutanol 3025.88
    1,4-dioxane 6483.67
    methyl acetate 3514.31
    THF 5255.63
    2-butanone 3161.8
    n-pentanol 2682.53
    sec-butanol 2865.62
    n-hexane 669.56
    ethylene glycol 815.98
    NMP 939.65
    cyclohexane 1049.32
    DMSO 2515.95
    n-butyl acetate 4088.37
    n-octanol 622.1
    chloroform 8179.19
    n-propyl acetate 2526.59
    acetic acid 3849.95
    dichloromethane 8452.11
    cyclohexanone 3264.01
    propylene glycol 985.68
    isopropyl acetate 2442.94
    DMAc 1085.35
    2-ethoxyethanol 3258.17
    isopentanol 3344.89
    n-heptane 561.68
    ethyl formate 2966.96
    1,2-dichloroethane 5431.69
    n-hexanol 3460.33
    2-methoxyethanol 5239.76
    isobutyl acetate 1281.66
    tetrachloromethane 1355.79
    n-pentyl acetate 1016.3
    transcutol 6629.41
    n-heptanol 793.29
    ethylbenzene 628.26
    MIBK 1533.49
    2-propoxyethanol 4152.9
    tert-butanol 3805.99
    MTBE 3648.8
    2-butoxyethanol 1381.49
    propionic acid 2326.09
    o-xylene 615.98
    formic acid 903.13
    diethyl ether 6339.4
    m-xylene 789.52
    p-xylene 655.55
    chlorobenzene 1704.61
    dimethyl carbonate 713.44
    n-octane 125.11
    formamide 1211.29
    cyclopentanone 2399.58
    2-pentanone 3345.4
    anisole 1330.61
    cyclopentyl methyl ether 2788.66
    gamma-butyrolactone 2608.0
    1-methoxy-2-propanol 2986.77
    pyridine 3388.75
    3-pentanone 1896.84
    furfural 2326.23
    n-dodecane 70.58
    diethylene glycol 2338.33
    diisopropyl ether 1213.71
    tert-amyl alcohol 2354.57
    acetylacetone 2109.99
    n-hexadecane 80.36
    acetophenone 862.29
    methyl propionate 2525.95
    isopentyl acetate 2544.88
    trichloroethylene 7345.72
    n-nonanol 497.89
    cyclohexanol 2588.81
    benzyl alcohol 1085.7
    2-ethylhexanol 1717.98
    isooctanol 598.5
    dipropyl ether 3170.08
    1,2-dichlorobenzene 1292.46
    ethyl lactate 640.51
    propylene carbonate 1853.41
    n-methylformamide 1748.1
    2-pentanol 2724.71
    n-pentane 767.05
    1-propoxy-2-propanol 2846.85
    1-methoxy-2-propyl acetate 2290.66
    2-(2-methoxypropoxy) propanol 787.6
    mesitylene 439.23
    ε-caprolactone 2828.26
    p-cymene 459.36
    epichlorohydrin 4910.93
    1,1,1-trichloroethane 4325.1
    2-aminoethanol 1800.61
    morpholine-4-carbaldehyde 2328.64
    sulfolane 1895.4
    2,2,4-trimethylpentane 202.1
    2-methyltetrahydrofuran 4252.91
    n-hexyl acetate 1186.57
    isooctane 196.17
    2-(2-butoxyethoxy)ethanol 1385.96
    sec-butyl acetate 1346.75
    tert-butyl acetate 1949.33
    decalin 274.15
    glycerin 948.69
    diglyme 3107.64
    acrylic acid 1437.33
    isopropyl myristate 383.59
    n-butyric acid 4774.4
    acetyl acetate 2109.3
    di(2-ethylhexyl) phthalate 307.04
    ethyl propionate 1722.41
    nitromethane 4211.36
    1,2-diethoxyethane 3592.52
    benzonitrile 1335.27
    trioctyl phosphate 233.75
    1-bromopropane 3749.33
    gamma-valerolactone 3287.78
    n-decanol 358.85
    triethyl phosphate 472.58
    4-methyl-2-pentanol 1078.81
    propionitrile 3114.88
    vinylene carbonate 1695.09
    1,1,2-trichlorotrifluoroethane 2547.56
    DMS 791.52
    cumene 366.23
    2-octanol 397.73
    2-hexanone 1881.37
    octyl acetate 474.63
    limonene 845.69
    1,2-dimethoxyethane 4391.76
    ethyl orthosilicate 558.41
    tributyl phosphate 342.26
    diacetone alcohol 1499.71
    N,N-dimethylaniline 586.42
    acrylonitrile 2673.34
    aniline 1731.48
    1,3-propanediol 2793.02
    bromobenzene 1852.17
    dibromomethane 5592.13
    1,1,2,2-tetrachloroethane 5119.43
    2-methyl-cyclohexyl acetate 906.55
    tetrabutyl urea 365.55
    diisobutyl methanol 798.29
    2-phenylethanol 1171.69
    styrene 933.52
    dioctyl adipate 511.42
    dimethyl sulfate 607.22
    ethyl butyrate 2263.65
    methyl lactate 659.62
    butyl lactate 612.82
    diethyl carbonate 1149.29
    propanediol butyl ether 852.48
    triethyl orthoformate 1182.38
    p-tert-butyltoluene 427.69
    methyl 4-tert-butylbenzoate 533.55
    morpholine 6896.02
    tert-butylamine 2702.96
    n-dodecanol 274.23
    dimethoxymethane 2834.07
    ethylene carbonate 1794.58
    cyrene 569.36
    2-ethoxyethyl acetate 1485.03
    2-ethylhexyl acetate 1785.02
    1,2,4-trichlorobenzene 1349.21
    4-methylpyridine 2947.31
    dibutyl ether 1385.39
    2,6-dimethyl-4-heptanol 798.29
    DEF 2673.6
    dimethyl isosorbide 1179.57
    tetrachloroethylene 3409.21
    eugenol 549.82
    triacetin 817.29
    span 80 706.98
    1,4-butanediol 1050.63
    1,1-dichloroethane 5460.15
    2-methyl-1-pentanol 1863.93
    methyl formate 1531.13
    2-methyl-1-butanol 2821.49
    n-decane 134.43
    butyronitrile 4482.59
    3,7-dimethyl-1-octanol 678.44
    1-chlorooctane 527.32
    1-chlorotetradecane 171.41
    n-nonane 152.71
    undecane 92.35
    tert-butylcyclohexane 250.92
    cyclooctane 302.39
    cyclopentanol 1733.79
    tetrahydropyran 6574.91
    tert-amyl methyl ether 1892.97
    2,5,8-trioxanonane 1489.97
    1-hexene 2165.27
    2-isopropoxyethanol 1942.93
    2,2,2-trifluoroethanol 771.83
    methyl butyrate 2440.2

    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