(1,2-Dimethoxyethyl)benzene

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  • Identifiers

    CAS number
    4013-37-0

    Molecular formula
    C10H14O2

    SMILES
    COCC(C1=CC=CC=C1)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.72%
    Floral 65.31%
    Green 64.0%
    Earthy 47.11%
    Rose 46.87%
    Sweet 45.65%
    Almond 42.05%
    Hyacinth 39.97%
    Fresh 34.53%
    Mushroom 31.59%

     

    Flavor
    Floral 75.46%
    Green 70.1%
    Fruity 53.52%
    Earthy 45.96%
    Rose 42.02%
    Bitter 41.04%
    Hyacinth 36.69%
    Mushroom 34.28%
    Sweet 34.27%
    Tropical 27.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.22 (weak acid)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 86.81 ˚C est.

  • Synonyms

    • (1,2-Dimethoxyethyl)benzene
    • 4013-37-0
    • RefChem:1049198
    • Benzene, (1,2-dimethoxyethyl)-
    • 1,2-dimethoxyethylbenzene
    • 1-Phenyl-1,2-dimethoxyethane
    • 1,2-Dimethoxy-1-phenylethane
    • alpha,beta-Dimethoxyphenylethane
    • SCHEMBL8095037
    • (1,2-Dimethoxyethyl)benzene #
    • DTXSID50342043
    • MCZSDTLZJNZORX-UHFFFAOYSA-N
    • Ethane, 1,2-dimethoxy-1-phenyl-
    • 4013-37-0

  • Applications

    (1,2-Dimethoxyethyl)benzene is primarily used as an organic synthesis intermediate in various industrial contexts. It is commonly employed as a precursor for fragrance ingredients and aroma compounds in perfumery; as a processing intermediate in cosmetics and personal care formulations; as a solvent or co-solvent in coatings, inks, and related specialty formulations; as a building block in polymer and plastics chemistry; and as a synthetic intermediate in pharmaceutical development. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 853.93
    methanol 764.23
    isopropanol 505.35
    water 12.56
    ethyl acetate 417.1
    n-propanol 649.04
    acetone 544.96
    n-butanol 443.77
    acetonitrile 727.07
    DMF 798.37
    toluene 141.8
    isobutanol 423.34
    1,4-dioxane 1225.84
    methyl acetate 536.5
    THF 726.24
    2-butanone 375.22
    n-pentanol 261.75
    sec-butanol 401.09
    n-hexane 25.03
    ethylene glycol 518.15
    NMP 515.92
    cyclohexane 121.11
    DMSO 1050.57
    n-butyl acetate 232.12
    n-octanol 133.3
    chloroform 2607.59
    n-propyl acetate 251.2
    acetic acid 1351.91
    dichloromethane 2328.45
    cyclohexanone 637.83
    propylene glycol 487.72
    isopropyl acetate 158.23
    DMAc 410.21
    2-ethoxyethanol 562.67
    isopentanol 270.38
    n-heptane 44.9
    ethyl formate 536.42
    1,2-dichloroethane 1204.48
    n-hexanol 278.48
    2-methoxyethanol 1007.74
    isobutyl acetate 138.97
    tetrachloromethane 405.99
    n-pentyl acetate 123.1
    transcutol 758.16
    n-heptanol 145.44
    ethylbenzene 95.41
    MIBK 130.43
    2-propoxyethanol 441.12
    tert-butanol 536.47
    MTBE 233.78
    2-butoxyethanol 266.56
    propionic acid 733.55
    o-xylene 117.96
    formic acid 528.92
    diethyl ether 303.01
    m-xylene 97.31
    p-xylene 117.21
    chlorobenzene 384.24
    dimethyl carbonate 167.0
    n-octane 18.3
    formamide 691.23
    cyclopentanone 639.44
    2-pentanone 224.93
    anisole 232.44
    cyclopentyl methyl ether 310.97
    gamma-butyrolactone 891.55
    1-methoxy-2-propanol 514.74
    pyridine 796.67
    3-pentanone 201.91
    furfural 848.42
    n-dodecane 16.21
    diethylene glycol 531.06
    diisopropyl ether 66.22
    tert-amyl alcohol 347.08
    acetylacetone 277.85
    n-hexadecane 18.08
    acetophenone 221.17
    methyl propionate 330.25
    isopentyl acetate 183.66
    trichloroethylene 2107.89
    n-nonanol 116.29
    cyclohexanol 461.5
    benzyl alcohol 269.54
    2-ethylhexanol 160.02
    isooctanol 115.72
    dipropyl ether 175.81
    1,2-dichlorobenzene 384.53
    ethyl lactate 193.33
    propylene carbonate 559.39
    n-methylformamide 717.59
    2-pentanol 213.79
    n-pentane 32.71
    1-propoxy-2-propanol 286.06
    1-methoxy-2-propyl acetate 197.63
    2-(2-methoxypropoxy) propanol 191.43
    mesitylene 70.51
    ε-caprolactone 523.99
    p-cymene 82.32
    epichlorohydrin 1023.22
    1,1,1-trichloroethane 1013.63
    2-aminoethanol 720.41
    morpholine-4-carbaldehyde 629.8
    sulfolane 893.23
    2,2,4-trimethylpentane 24.11
    2-methyltetrahydrofuran 527.2
    n-hexyl acetate 178.78
    isooctane 17.18
    2-(2-butoxyethoxy)ethanol 282.32
    sec-butyl acetate 126.18
    tert-butyl acetate 153.47
    decalin 42.38
    glycerin 644.51
    diglyme 602.31
    acrylic acid 735.36
    isopropyl myristate 75.42
    n-butyric acid 694.95
    acetyl acetate 266.26
    di(2-ethylhexyl) phthalate 86.83
    ethyl propionate 200.81
    nitromethane 1531.49
    1,2-diethoxyethane 217.21
    benzonitrile 347.79
    trioctyl phosphate 67.83
    1-bromopropane 477.14
    gamma-valerolactone 760.08
    n-decanol 88.39
    triethyl phosphate 118.14
    4-methyl-2-pentanol 99.44
    propionitrile 501.83
    vinylene carbonate 605.53
    1,1,2-trichlorotrifluoroethane 1032.33
    DMS 169.85
    cumene 76.39
    2-octanol 88.07
    2-hexanone 184.02
    octyl acetate 102.77
    limonene 126.36
    1,2-dimethoxyethane 680.08
    ethyl orthosilicate 110.45
    tributyl phosphate 78.36
    diacetone alcohol 235.99
    N,N-dimethylaniline 148.74
    acrylonitrile 671.76
    aniline 315.39
    1,3-propanediol 710.85
    bromobenzene 366.92
    dibromomethane 1434.49
    1,1,2,2-tetrachloroethane 1642.25
    2-methyl-cyclohexyl acetate 158.85
    tetrabutyl urea 105.03
    diisobutyl methanol 87.61
    2-phenylethanol 203.14
    styrene 127.87
    dioctyl adipate 127.96
    dimethyl sulfate 259.01
    ethyl butyrate 205.05
    methyl lactate 259.68
    butyl lactate 132.62
    diethyl carbonate 175.61
    propanediol butyl ether 229.11
    triethyl orthoformate 150.44
    p-tert-butyltoluene 75.39
    methyl 4-tert-butylbenzoate 188.27
    morpholine 1185.43
    tert-butylamine 300.17
    n-dodecanol 71.28
    dimethoxymethane 414.73
    ethylene carbonate 514.02
    cyrene 237.11
    2-ethoxyethyl acetate 169.09
    2-ethylhexyl acetate 137.71
    1,2,4-trichlorobenzene 439.5
    4-methylpyridine 447.95
    dibutyl ether 119.56
    2,6-dimethyl-4-heptanol 87.61
    DEF 352.43
    dimethyl isosorbide 312.34
    tetrachloroethylene 1204.31
    eugenol 194.3
    triacetin 202.98
    span 80 177.88
    1,4-butanediol 303.55
    1,1-dichloroethane 1030.71
    2-methyl-1-pentanol 183.35
    methyl formate 635.08
    2-methyl-1-butanol 290.02
    n-decane 25.52
    butyronitrile 443.71
    3,7-dimethyl-1-octanol 109.43
    1-chlorooctane 103.91
    1-chlorotetradecane 41.56
    n-nonane 25.81
    undecane 19.44
    tert-butylcyclohexane 34.56
    cyclooctane 31.96
    cyclopentanol 499.59
    tetrahydropyran 778.35
    tert-amyl methyl ether 155.86
    2,5,8-trioxanonane 379.19
    1-hexene 88.57
    2-isopropoxyethanol 304.04
    2,2,2-trifluoroethanol 544.81
    methyl butyrate 299.2

    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