(2-Methoxy-1-methylethyl)benzene

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  • Identifiers

    CAS number
    65738-46-7

    Molecular formula
    C10H14O

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

  • Odor profile

    Fragrance
    Floral 88.95%
    Green 73.61%
    Rose 53.31%
    Hyacinth 49.79%
    Fruity 44.36%
    Earthy 41.37%
    Fresh 41.14%
    Sweet 36.22%
    Leafy 34.84%
    Muguet 33.58%

     

    Flavor
    Green 81.56%
    Floral 73.76%
    Rose 44.71%
    Earthy 39.41%
    Hyacinth 38.56%
    Fresh 35.91%
    Bitter 33.07%
    Leaf 31.84%
    Tropical 30.62%
    Fruity 30.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.06 (neutral)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 73.48 ˚C est.

  • Synonyms

    • (2-Methoxy-1-methylethyl)benzene
    • 65738-46-7
    • EINECS 265-903-6
    • Benzene, (2-methoxy-1-methylethyl)-
    • DDH8U6U6ZE
    • SCHEMBL2093765
    • DTXSID20867177
    • JSLADQCPHDFYDG-UHFFFAOYSA-N
    • (1-METHOXYPROPAN-2-YL)BENZENE
    • NS00056409
    • 265-903-6

  • Applications

    (2-Methoxy-1-methylethyl)benzene (CAS 65738-46-7) has applications primarily in fragrance and cosmetics, where it serves as an aroma component and a synthetic intermediate for fragrance compounds; it can also function as a solvent or processing aid in coatings, inks, and adhesives; it is a precursor for the synthesis of aromatic substances used in industrial manufacturing; it may be considered for use in personal care formulations and in household cleaning products as a fragrance ingredient or mild solvent, with use governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3451.44
    methanol 2333.88
    isopropanol 2365.63
    water 2.25
    ethyl acetate 2682.28
    n-propanol 2711.79
    acetone 2235.73
    n-butanol 2496.81
    acetonitrile 3372.72
    DMF 1207.8
    toluene 926.61
    isobutanol 1843.13
    1,4-dioxane 4719.44
    methyl acetate 2147.85
    THF 2766.82
    2-butanone 1821.19
    n-pentanol 1311.94
    sec-butanol 1754.57
    n-hexane 311.67
    ethylene glycol 478.28
    NMP 741.34
    cyclohexane 732.36
    DMSO 1412.5
    n-butyl acetate 1731.65
    n-octanol 417.37
    chloroform 6328.93
    n-propyl acetate 1208.69
    acetic acid 2327.82
    dichloromethane 5806.01
    cyclohexanone 2209.18
    propylene glycol 614.66
    isopropyl acetate 1005.47
    DMAc 648.53
    2-ethoxyethanol 1586.83
    isopentanol 1596.39
    n-heptane 332.01
    ethyl formate 1723.07
    1,2-dichloroethane 3565.25
    n-hexanol 1688.88
    2-methoxyethanol 2470.46
    isobutyl acetate 656.55
    tetrachloromethane 1188.44
    n-pentyl acetate 543.52
    transcutol 3022.79
    n-heptanol 493.23
    ethylbenzene 385.41
    MIBK 664.95
    2-propoxyethanol 1810.86
    tert-butanol 2190.54
    MTBE 1817.08
    2-butoxyethanol 746.25
    propionic acid 1594.44
    o-xylene 431.26
    formic acid 492.64
    diethyl ether 3068.04
    m-xylene 471.69
    p-xylene 436.16
    chlorobenzene 1249.15
    dimethyl carbonate 409.07
    n-octane 94.38
    formamide 696.58
    cyclopentanone 1655.84
    2-pentanone 1449.2
    anisole 790.72
    cyclopentyl methyl ether 1448.07
    gamma-butyrolactone 1938.69
    1-methoxy-2-propanol 1344.77
    pyridine 2453.41
    3-pentanone 980.75
    furfural 1573.18
    n-dodecane 57.51
    diethylene glycol 1109.59
    diisopropyl ether 543.95
    tert-amyl alcohol 1344.02
    acetylacetone 1013.38
    n-hexadecane 65.2
    acetophenone 541.15
    methyl propionate 1248.02
    isopentyl acetate 1109.49
    trichloroethylene 4935.55
    n-nonanol 343.89
    cyclohexanol 1705.04
    benzyl alcohol 633.68
    2-ethylhexanol 830.22
    isooctanol 371.41
    dipropyl ether 1384.35
    1,2-dichlorobenzene 901.99
    ethyl lactate 376.04
    propylene carbonate 1239.35
    n-methylformamide 1030.3
    2-pentanol 1252.76
    n-pentane 415.38
    1-propoxy-2-propanol 1203.28
    1-methoxy-2-propyl acetate 948.61
    2-(2-methoxypropoxy) propanol 466.59
    mesitylene 283.64
    ε-caprolactone 1785.98
    p-cymene 268.35
    epichlorohydrin 2938.77
    1,1,1-trichloroethane 3242.93
    2-aminoethanol 1012.19
    morpholine-4-carbaldehyde 1458.7
    sulfolane 1387.53
    2,2,4-trimethylpentane 131.4
    2-methyltetrahydrofuran 2587.2
    n-hexyl acetate 684.65
    isooctane 117.33
    2-(2-butoxyethoxy)ethanol 761.33
    sec-butyl acetate 644.89
    tert-butyl acetate 899.57
    decalin 183.07
    glycerin 586.64
    diglyme 1695.2
    acrylic acid 1073.06
    isopropyl myristate 247.87
    n-butyric acid 2537.2
    acetyl acetate 1034.87
    di(2-ethylhexyl) phthalate 194.63
    ethyl propionate 854.51
    nitromethane 2548.47
    1,2-diethoxyethane 1513.88
    benzonitrile 916.29
    trioctyl phosphate 155.62
    1-bromopropane 2295.16
    gamma-valerolactone 2053.32
    n-decanol 253.5
    triethyl phosphate 290.16
    4-methyl-2-pentanol 510.27
    propionitrile 2083.87
    vinylene carbonate 1248.43
    1,1,2-trichlorotrifluoroethane 1625.33
    DMS 474.48
    cumene 236.7
    2-octanol 279.95
    2-hexanone 938.54
    octyl acetate 303.38
    limonene 486.19
    1,2-dimethoxyethane 2203.87
    ethyl orthosilicate 312.74
    tributyl phosphate 205.26
    diacetone alcohol 748.74
    N,N-dimethylaniline 370.28
    acrylonitrile 1847.73
    aniline 1069.53
    1,3-propanediol 1529.21
    bromobenzene 1327.68
    dibromomethane 3977.14
    1,1,2,2-tetrachloroethane 3558.33
    2-methyl-cyclohexyl acetate 507.08
    tetrabutyl urea 235.63
    diisobutyl methanol 401.09
    2-phenylethanol 634.25
    styrene 570.87
    dioctyl adipate 315.74
    dimethyl sulfate 425.13
    ethyl butyrate 1082.99
    methyl lactate 401.3
    butyl lactate 346.67
    diethyl carbonate 623.24
    propanediol butyl ether 494.64
    triethyl orthoformate 613.17
    p-tert-butyltoluene 244.47
    methyl 4-tert-butylbenzoate 369.67
    morpholine 4519.09
    tert-butylamine 1584.36
    n-dodecanol 193.9
    dimethoxymethane 1208.86
    ethylene carbonate 1244.53
    cyrene 388.14
    2-ethoxyethyl acetate 746.7
    2-ethylhexyl acetate 814.43
    1,2,4-trichlorobenzene 977.62
    4-methylpyridine 1786.82
    dibutyl ether 714.24
    2,6-dimethyl-4-heptanol 401.09
    DEF 1314.29
    dimethyl isosorbide 712.1
    tetrachloroethylene 2410.41
    eugenol 377.09
    triacetin 499.73
    span 80 439.27
    1,4-butanediol 546.33
    1,1-dichloroethane 3775.4
    2-methyl-1-pentanol 900.84
    methyl formate 926.74
    2-methyl-1-butanol 1531.61
    n-decane 101.93
    butyronitrile 2357.68
    3,7-dimethyl-1-octanol 397.56
    1-chlorooctane 372.56
    1-chlorotetradecane 132.13
    n-nonane 116.0
    undecane 73.54
    tert-butylcyclohexane 160.49
    cyclooctane 202.69
    cyclopentanol 1270.54
    tetrahydropyran 4160.47
    tert-amyl methyl ether 963.08
    2,5,8-trioxanonane 860.75
    1-hexene 947.05
    2-isopropoxyethanol 953.12
    2,2,2-trifluoroethanol 581.58
    methyl butyrate 1247.65

    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