4-Isopropyl-1,2-dimethoxybenzene

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  • Identifiers

    CAS number
    4132-76-7

    Molecular formula
    C11H16O2

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 71.73%
    Phenolic 58.39%
    Herbal 54.71%
    Woody 54.71%
    Earthy 47.12%
    Smoky 41.12%
    Leathery 37.78%
    Medicinal 36.8%
    Camphoreous 30.75%
    Burnt 30.13%

     

    Flavor
    Spice 43.95%
    Woody 39.05%
    Spicy 37.99%
    Musty 37.35%
    Herbal 37.07%
    Phenolic 31.8%
    Earthy 31.59%
    Camphor 28.9%
    Smoky 27.25%
    Earth 25.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.8 (neutral)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 90.53 ˚C est.

  • Synonyms

    • 4-isopropyl-1,2-dimethoxybenzene
    • 1-isopropyl 3,4-dimethoxy benzene
    • SCHEMBL84033
    • 4132-76-7
    • SCHEMBL1096757
    • SCHEMBL6779179
    • SCHEMBL6844598
    • 1,2-dimethoxy-4-propan-2-ylbenzene
    • 4132-76-7

  • Applications

    4-Isopropyl-1,2-dimethoxybenzene (CAS 4132-76-7) is primarily viewed as an intermediate in the synthesis of fragrance compounds and may be used in perfumery/fragrance and in cosmetics/personal care as an aroma ingredient or intermediate; it can also serve as an aromatic building block in industrial applications and is evaluated for use in household products, coatings/inks, or polymers/plastics as a specialty intermediate or additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 673.15
    methanol 480.11
    isopropanol 512.58
    water 1.03
    ethyl acetate 1170.37
    n-propanol 651.72
    acetone 1415.6
    n-butanol 548.75
    acetonitrile 1438.65
    DMF 1115.98
    toluene 441.01
    isobutanol 454.61
    1,4-dioxane 2197.6
    methyl acetate 1254.7
    THF 1699.43
    2-butanone 943.16
    n-pentanol 324.59
    sec-butanol 485.37
    n-hexane 72.94
    ethylene glycol 181.13
    NMP 716.95
    cyclohexane 311.09
    DMSO 854.11
    n-butyl acetate 665.09
    n-octanol 178.62
    chloroform 3820.26
    n-propyl acetate 574.38
    acetic acid 1014.57
    dichloromethane 3822.33
    cyclohexanone 1521.59
    propylene glycol 192.89
    isopropyl acetate 462.51
    DMAc 526.48
    2-ethoxyethanol 632.39
    isopentanol 389.84
    n-heptane 82.31
    ethyl formate 1063.66
    1,2-dichloroethane 2446.3
    n-hexanol 401.41
    2-methoxyethanol 1045.64
    isobutyl acetate 305.68
    tetrachloromethane 791.48
    n-pentyl acetate 325.8
    transcutol 896.21
    n-heptanol 189.0
    ethylbenzene 241.56
    MIBK 309.76
    2-propoxyethanol 588.17
    tert-butanol 705.72
    MTBE 692.57
    2-butoxyethanol 319.07
    propionic acid 677.69
    o-xylene 274.72
    formic acid 221.95
    diethyl ether 953.27
    m-xylene 265.88
    p-xylene 324.29
    chlorobenzene 822.77
    dimethyl carbonate 340.12
    n-octane 40.87
    formamide 465.79
    cyclopentanone 1475.24
    2-pentanone 711.44
    anisole 476.89
    cyclopentyl methyl ether 710.19
    gamma-butyrolactone 1858.18
    1-methoxy-2-propanol 542.88
    pyridine 1474.04
    3-pentanone 525.75
    furfural 1378.38
    n-dodecane 28.74
    diethylene glycol 428.32
    diisopropyl ether 189.66
    tert-amyl alcohol 528.07
    acetylacetone 691.68
    n-hexadecane 33.61
    acetophenone 405.97
    methyl propionate 735.25
    isopentyl acetate 484.14
    trichloroethylene 3755.56
    n-nonanol 160.62
    cyclohexanol 709.15
    benzyl alcohol 388.37
    2-ethylhexanol 251.46
    isooctanol 155.89
    dipropyl ether 361.11
    1,2-dichlorobenzene 750.09
    ethyl lactate 218.93
    propylene carbonate 994.34
    n-methylformamide 779.04
    2-pentanol 324.19
    n-pentane 87.16
    1-propoxy-2-propanol 371.97
    1-methoxy-2-propyl acetate 419.54
    2-(2-methoxypropoxy) propanol 219.16
    mesitylene 178.72
    ε-caprolactone 1081.89
    p-cymene 163.49
    epichlorohydrin 2089.81
    1,1,1-trichloroethane 2298.65
    2-aminoethanol 303.8
    morpholine-4-carbaldehyde 948.57
    sulfolane 1288.75
    2,2,4-trimethylpentane 47.72
    2-methyltetrahydrofuran 1279.43
    n-hexyl acetate 405.13
    isooctane 35.43
    2-(2-butoxyethoxy)ethanol 337.95
    sec-butyl acetate 296.88
    tert-butyl acetate 449.54
    decalin 91.97
    glycerin 249.05
    diglyme 789.93
    acrylic acid 607.95
    isopropyl myristate 156.7
    n-butyric acid 963.3
    acetyl acetate 707.63
    di(2-ethylhexyl) phthalate 134.85
    ethyl propionate 450.55
    nitromethane 1881.19
    1,2-diethoxyethane 501.02
    benzonitrile 635.01
    trioctyl phosphate 112.14
    1-bromopropane 1082.82
    gamma-valerolactone 1612.42
    n-decanol 120.34
    triethyl phosphate 199.5
    4-methyl-2-pentanol 155.67
    propionitrile 882.12
    vinylene carbonate 1019.64
    1,1,2-trichlorotrifluoroethane 1189.32
    DMS 351.96
    cumene 157.03
    2-octanol 138.01
    2-hexanone 433.49
    octyl acetate 202.83
    limonene 234.46
    1,2-dimethoxyethane 1166.0
    ethyl orthosilicate 193.6
    tributyl phosphate 133.99
    diacetone alcohol 414.29
    N,N-dimethylaniline 243.77
    acrylonitrile 1034.1
    aniline 542.19
    1,3-propanediol 517.5
    bromobenzene 898.95
    dibromomethane 2349.05
    1,1,2,2-tetrachloroethane 2694.88
    2-methyl-cyclohexyl acetate 300.98
    tetrabutyl urea 156.78
    diisobutyl methanol 148.9
    2-phenylethanol 348.44
    styrene 335.72
    dioctyl adipate 217.9
    dimethyl sulfate 411.11
    ethyl butyrate 440.92
    methyl lactate 261.5
    butyl lactate 201.58
    diethyl carbonate 350.35
    propanediol butyl ether 226.3
    triethyl orthoformate 291.66
    p-tert-butyltoluene 157.3
    methyl 4-tert-butylbenzoate 286.88
    morpholine 2025.9
    tert-butylamine 408.36
    n-dodecanol 95.34
    dimethoxymethane 783.11
    ethylene carbonate 905.7
    cyrene 288.75
    2-ethoxyethyl acetate 427.17
    2-ethylhexyl acetate 389.01
    1,2,4-trichlorobenzene 791.95
    4-methylpyridine 1035.05
    dibutyl ether 255.7
    2,6-dimethyl-4-heptanol 148.9
    DEF 683.92
    dimethyl isosorbide 461.76
    tetrachloroethylene 1900.54
    eugenol 256.93
    triacetin 332.55
    span 80 215.59
    1,4-butanediol 190.73
    1,1-dichloroethane 2095.95
    2-methyl-1-pentanol 275.09
    methyl formate 853.76
    2-methyl-1-butanol 395.77
    n-decane 48.4
    butyronitrile 896.8
    3,7-dimethyl-1-octanol 161.69
    1-chlorooctane 187.32
    1-chlorotetradecane 74.18
    n-nonane 50.66
    undecane 35.57
    tert-butylcyclohexane 71.94
    cyclooctane 84.69
    cyclopentanol 690.21
    tetrahydropyran 1794.86
    tert-amyl methyl ether 403.56
    2,5,8-trioxanonane 449.18
    1-hexene 224.19
    2-isopropoxyethanol 380.43
    2,2,2-trifluoroethanol 385.6
    methyl butyrate 666.39

    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