1-(2-Methoxypropan-2-yl)-4-methylbenzene

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  • Identifiers

    CAS number
    55708-37-7

    Molecular formula
    C11H16O

    SMILES
    CC1=CC=C(C=C1)C(C)(C)OC

  • Odor profile

    Floral 61.56%
    Herbal 55.21%
    Green 53.96%
    Fruity 49.27%
    Fresh 46.2%
    Earthy 40.92%
    Spicy 40.62%
    Woody 39.16%
    Citrus 39.12%
    Sweet 37.12%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.44 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    214°C

    Flash point est.
    69.21 ˚C

  • Synonyms

    • 1-(2-methoxypropan-2-yl)-4-methylbenzene
    • 1-(1-Methoxy-1-methylethyl)-4-methylbenzene
    • 8-Methoxy-p-cymene
    • 4-Methylcumyl methyl ether
    • p-Cymen-8-ol methyl ether
    • 55708-37-7
    • LT822V8FV3
    • SCHEMBL9508337
    • CHEBI:195763
    • 8-Methoxy-p-mentha-1,3,5-triene
    • 1-(2-Methoxypropan-2-yl)-4-methyl-benzene
    • Benzene, 1-(1-methoxy-1-methylethyl)-4-methyl-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 926.44
    methanol 659.66
    isopropanol 695.05
    water 4.58
    ethyl acetate 993.83
    n-propanol 774.82
    acetone 567.18
    n-butanol 792.66
    acetonitrile 847.45
    DMF 496.34
    toluene 676.02
    isobutanol 520.67
    1,4-dioxane 2627.0
    methyl acetate 817.79
    THF 1545.88
    2-butanone 658.7
    n-pentanol 497.09
    sec-butanol 645.24
    n-hexane 421.79
    ethylene glycol 149.04
    NMP 436.79
    cyclohexane 690.82
    DMSO 343.1
    n-butyl acetate 623.37
    n-octanol 337.52
    chloroform 3138.35
    n-propyl acetate 421.15
    acetic acid 506.42
    dichloromethane 2374.71
    cyclohexanone 894.59
    propylene glycol 241.3
    isopropyl acetate 501.11
    DMAc 612.43
    2-ethoxyethanol 638.33
    isopentanol 568.45
    n-heptane 365.19
    ethyl formate 501.44
    1,2-dichloroethane 1097.36
    n-hexanol 849.93
    2-methoxyethanol 825.83
    isobutyl acetate 304.3
    tetrachloromethane 686.03
    n-pentyl acetate 319.72
    transcutol 1552.22
    n-heptanol 332.78
    ethylbenzene 374.12
    MIBK 313.71
    2-propoxyethanol 884.36
    tert-butanol 959.86
    MTBE 999.57
    2-butoxyethanol 443.21
    propionic acid 476.85
    o-xylene 403.57
    formic acid 155.66
    diethyl ether 1315.41
    m-xylene 366.31
    p-xylene 471.17
    chlorobenzene 659.54
    dimethyl carbonate 218.58
    n-octane 109.7
    formamide 253.63
    cyclopentanone 661.69
    2-pentanone 534.85
    anisole 629.33
    cyclopentyl methyl ether 871.91
    gamma-butyrolactone 695.55
    1-methoxy-2-propanol 604.7
    pyridine 1079.22
    3-pentanone 510.6
    furfural 649.52
    n-dodecane 69.98
    diethylene glycol 473.38
    diisopropyl ether 383.52
    tert-amyl alcohol 759.07
    acetylacetone 460.77
    n-hexadecane 78.76
    acetophenone 423.28
    methyl propionate 577.99
    isopentyl acetate 508.31
    trichloroethylene 1740.12
    n-nonanol 312.11
    cyclohexanol 815.99
    benzyl alcohol 402.4
    2-ethylhexanol 510.52
    isooctanol 249.17
    dipropyl ether 797.48
    1,2-dichlorobenzene 570.71
    ethyl lactate 185.78
    propylene carbonate 501.18
    n-methylformamide 288.71
    2-pentanol 525.43
    n-pentane 372.0
    1-propoxy-2-propanol 609.25
    1-methoxy-2-propyl acetate 526.02
    2-(2-methoxypropoxy) propanol 399.12
    mesitylene 242.75
    ε-caprolactone 802.81
    p-cymene 241.35
    epichlorohydrin 1044.34
    1,1,1-trichloroethane 1362.89
    2-aminoethanol 353.75
    morpholine-4-carbaldehyde 818.72
    sulfolane 536.62
    2,2,4-trimethylpentane 135.07
    2-methyltetrahydrofuran 1373.54
    n-hexyl acetate 501.93
    isooctane 89.07
    2-(2-butoxyethoxy)ethanol 549.13
    sec-butyl acetate 332.58
    tert-butyl acetate 500.63
    decalin 219.86
    glycerin 242.29
    diglyme 1061.64
    acrylic acid 347.27
    isopropyl myristate 219.85
    n-butyric acid 666.66
    acetyl acetate 539.44
    di(2-ethylhexyl) phthalate 182.27
    ethyl propionate 448.13
    nitromethane 637.71
    1,2-diethoxyethane 852.68
    benzonitrile 452.66
    trioctyl phosphate 129.2
    1-bromopropane 922.83
    gamma-valerolactone 908.3
    n-decanol 228.73
    triethyl phosphate 241.67
    4-methyl-2-pentanol 275.48
    propionitrile 706.97
    vinylene carbonate 533.7
    1,1,2-trichlorotrifluoroethane 622.96
    DMS 356.37
    cumene 255.59
    2-octanol 228.84
    2-hexanone 404.08
    octyl acetate 266.91
    limonene 359.97
    1,2-dimethoxyethane 1175.62
    ethyl orthosilicate 260.95
    tributyl phosphate 162.18
    diacetone alcohol 399.79
    N,N-dimethylaniline 392.7
    acrylonitrile 547.73
    aniline 623.13
    1,3-propanediol 448.24
    bromobenzene 745.01
    dibromomethane 1628.0
    1,1,2,2-tetrachloroethane 1574.52
    2-methyl-cyclohexyl acetate 404.55
    tetrabutyl urea 190.71
    diisobutyl methanol 244.39
    2-phenylethanol 458.36
    styrene 438.49
    dioctyl adipate 273.31
    dimethyl sulfate 243.95
    ethyl butyrate 513.51
    methyl lactate 211.69
    butyl lactate 203.36
    diethyl carbonate 374.34
    propanediol butyl ether 298.95
    triethyl orthoformate 389.31
    p-tert-butyltoluene 241.49
    methyl 4-tert-butylbenzoate 353.03
    morpholine 2305.68
    tert-butylamine 803.26
    n-dodecanol 182.8
    dimethoxymethane 557.83
    ethylene carbonate 498.64
    cyrene 313.7
    2-ethoxyethyl acetate 435.5
    2-ethylhexyl acetate 457.72
    1,2,4-trichlorobenzene 656.44
    4-methylpyridine 930.8
    dibutyl ether 516.62
    2,6-dimethyl-4-heptanol 244.39
    DEF 561.14
    dimethyl isosorbide 608.75
    tetrachloroethylene 1048.38
    eugenol 308.14
    triacetin 414.71
    span 80 366.37
    1,4-butanediol 195.52
    1,1-dichloroethane 1382.68
    2-methyl-1-pentanol 429.07
    methyl formate 244.54
    2-methyl-1-butanol 560.9
    n-decane 125.2
    butyronitrile 745.56
    3,7-dimethyl-1-octanol 297.38
    1-chlorooctane 314.46
    1-chlorotetradecane 127.23
    n-nonane 134.63
    undecane 88.79
    tert-butylcyclohexane 184.41
    cyclooctane 230.24
    cyclopentanol 580.6
    tetrahydropyran 2097.76
    tert-amyl methyl ether 694.12
    2,5,8-trioxanonane 677.11
    1-hexene 697.07
    2-isopropoxyethanol 452.7
    2,2,2-trifluoroethanol 199.63
    methyl butyrate 497.91

    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

Botanical

Name CAS Botanical Proportion
Ocimum gratissimum (Cuba) 1a Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 1.19%
Ocimum gratissimum (Cuba) 1b Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.66%
Oregano, mexican (Mexico) 2 Lippia graveolens HBK., fam. Verbenaceae 10.0%
Bois-de-Rose (Brazil) 1c 8015-77-8 Aniba rosaeodora var. amazonica Ducke, fam. Lauraceae 0.08%
Ocimum gratissimum (Cuba) 2a Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 1.2%
Ocimum gratissimum (Cuba) 2b Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 1.4%
Ocimum gratissimum (Cuba) 2c Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 1.8%